Experiment: 1W4Z

X-RAY DIFFRACTION

Initial Refinement Model(s)
Type	Source	Accession Code	Details
experimental model	PDB	1EDO	PDB ENTRY 1EDO

Crystalization Experiments
ID	Method	pH	Temperature	Details
1				MOTHER LIQUOR 5 MG ML-1 PROTEIN AND 5 MM NADP IN 25 MM PHOSPHATE BUFFER PH 8 WITH 10%(V/V) GLYCEROL RESERVOIR SOLUTION 4.0-4.4 M SODIUM FORMATE

Crystal Properties
Matthews coefficient	Solvent content
3.3	62.5

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	100	CCD	ADSC CCD		2003-06-20	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	SRS BEAMLINE PX14.2		SRS	PX14.2

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	2.5	30	99.8	0.07	20	6.5		25371

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	2.5	30	100		0.45	3.9

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	MOLECULAR REPLACEMENT	THROUGHOUT	PDB ENTRY 1EDO	2.5	30	25371	1352	99.8	0.185	0.183	0.218	RANDOM	45.91

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]
1.64	0.82		1.64		-2.46

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_3_deg	18.81
r_scangle_it	6.495
r_scbond_it	4.092
r_dihedral_angle_1_deg	3.918
r_mcangle_it	2.408
r_angle_refined_deg	1.715
r_mcbond_it	1.232
r_nbd_refined	0.236
r_symmetry_vdw_refined	0.231
r_symmetry_hbond_refined	0.221

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_3_deg	18.81
r_scangle_it	6.495
r_scbond_it	4.092
r_dihedral_angle_1_deg	3.918
r_mcangle_it	2.408
r_angle_refined_deg	1.715
r_mcbond_it	1.232
r_nbd_refined	0.236
r_symmetry_vdw_refined	0.231
r_symmetry_hbond_refined	0.221
r_xyhbond_nbd_refined	0.143
r_chiral_restr	0.106
r_bond_refined_d	0.014
r_gen_planes_refined	0.005
r_bond_other_d
r_angle_other_deg
r_dihedral_angle_2_deg
r_dihedral_angle_4_deg
r_gen_planes_other
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_other
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_other
r_mcangle_other
r_scbond_other
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded