Experiment: 1LFO

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1ADL	SUPERIMPOSED POLYALANINE COMPOSITE STRUCTURE OF 1ADL, 1CBR, 1CRB, 1OPB, 1IFC, 1HMR
experimental model	PDB	1CBR	SUPERIMPOSED POLYALANINE COMPOSITE STRUCTURE OF 1ADL, 1CBR, 1CRB, 1OPB, 1IFC, 1HMR
experimental model	PDB	1CRB	SUPERIMPOSED POLYALANINE COMPOSITE STRUCTURE OF 1ADL, 1CBR, 1CRB, 1OPB, 1IFC, 1HMR
experimental model	PDB	1OPB	SUPERIMPOSED POLYALANINE COMPOSITE STRUCTURE OF 1ADL, 1CBR, 1CRB, 1OPB, 1IFC, 1HMR
experimental model	PDB	1IFC	SUPERIMPOSED POLYALANINE COMPOSITE STRUCTURE OF 1ADL, 1CBR, 1CRB, 1OPB, 1IFC, 1HMR
experimental model	PDB	1HMR	SUPERIMPOSED POLYALANINE COMPOSITE STRUCTURE OF 1ADL, 1CBR, 1CRB, 1OPB, 1IFC, 1HMR

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, HANGING DROP	5.6		HANGING DROP VAPOR DIFFUSION EXPERIMENT 1 ML WELL: 3 M AMMONIUM SULFATE, 200 MM LISO4, 100 MM CITRATE, AT A PH OF 5.6 STOCK: 13 MG/ML LFABP-OLEATE COMPLEX 10 MICROLITER DROP: 1:1 MIXTURE OF STOCK AND WELL, vapor diffusion - hanging drop

Crystal Properties
Matthews coefficient	Solvent content
2.6	55

Symmetry
Space Group	P 32 2 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	287	AREA DETECTOR	SIEMENS		1991-08-26	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	ROTATING ANODE	RIGAKU RUH2R

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1	2.1	38.8	79.3	0.1	10.7	5.3		8640			36.8

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
	2.1	2.3	33.2		0.535	0.89

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	Cut-off Sigma (F)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	SUPERIMPOSED POLYALANINE COMPOSITE STRUCTURE OF 1ADL, 1CBR, 1CRB, 1OPB, 1IFC, 1HMR	2.3	8	1	7475	396	92.6	0.202	0.202	0.262	RANDOM	40.9

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	27.7
x_scangle_it	2.7
x_scbond_it	2.18
x_mcangle_it	2.04
x_angle_deg	1.53
x_mcbond_it	1.38
x_improper_angle_d	1.11
x_bond_d	0.008
x_bond_d_na
x_bond_d_prot

RMS Deviations
Key	Refinement Restraint Deviation
x_dihedral_angle_d	27.7
x_scangle_it	2.7
x_scbond_it	2.18
x_mcangle_it	2.04
x_angle_deg	1.53
x_mcbond_it	1.38
x_improper_angle_d	1.11
x_bond_d	0.008
x_bond_d_na
x_bond_d_prot
x_angle_d
x_angle_d_na
x_angle_d_prot
x_angle_deg_na
x_angle_deg_prot
x_dihedral_angle_d_na
x_dihedral_angle_d_prot
x_improper_angle_d_na
x_improper_angle_d_prot