Experiment: 1OHH

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1E1Q	PDB ENTRY 1E1Q, BOVINE MITOCHONDRIAL F1-ATPASE

Crystalization Experiments
ID	Method	pH	Temperature	Details
1		6.6		PROTEIN 20MG/ML IN 100MM PIPES-NAOH PH6.6, 40MM MGSO4, 0.04% NA AZIDE, 10% GLYCEROL, 0.002% PMSF. DROPS EQUAL VOLUME OF PROTEIN AND 10MM AMP-PNP, 300MM NACL, 16% PEG 4000, 5MM SPERMIDINE. BATCH METHOD., pH 6.60

Crystal Properties
Matthews coefficient	Solvent content
2.9	58

Symmetry
Space Group	P 21 21 21

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	ADSC CCD		1999-02-18	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	ESRF BEAMLINE ID14-4		ESRF	ID14-4

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge 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	2.8	39.5	94.8	0.061	18.1	3.03		109367			82.1

Highest Resolution Shell
ID #	Resolution (High)	Resolution (Low)	Percent Possible (All)	Percent Possible (Observed)	R Merge I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	2.61	2.75	99.1		0.202	7.1	2.6

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Starting model	Resolution (High)	Resolution (Low)	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	MIR	THROUGHOUT	PDB ENTRY 1E1Q, BOVINE MITOCHONDRIAL F1-ATPASE	2.8	39.5	109367	5507	99.4	0.232	0.232	0.28	RANDOM

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]
9.45			4.55		-14

RMS Deviations
Key	Refinement Restraint Deviation
c_scangle_it	5.8
c_scbond_it	4.2
c_mcangle_it	3
c_mcbond_it	1.8
c_angle_deg	1.4
c_bond_d	0.008
c_bond_d_na
c_bond_d_prot
c_angle_d
c_angle_d_na

RMS Deviations
Key	Refinement Restraint Deviation
c_scangle_it	5.8
c_scbond_it	4.2
c_mcangle_it	3
c_mcbond_it	1.8
c_angle_deg	1.4
c_bond_d	0.008
c_bond_d_na
c_bond_d_prot
c_angle_d
c_angle_d_na
c_angle_d_prot
c_angle_deg_na
c_angle_deg_prot
c_dihedral_angle_d
c_dihedral_angle_d_na
c_dihedral_angle_d_prot
c_improper_angle_d
c_improper_angle_d_na
c_improper_angle_d_prot