1XDZ

Crystal Structure of Gram_Positive Bacillus subtilis Glucose inhibited Division protein B (gidB), Structural genomics, MCSG

X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
ID	Method	pH	Temperature	Details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	0.2M Mg chloride, 0.1M tris hydrochloride, 25% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystal Properties
Matthews coefficient	Solvent content
2.037	37.3

Crystal Data

Unit Cell
Length ( Å )	Angle ( ˚ )
a = 88.496	α = 90
b = 58.164	β = 123.4
c = 51.207	γ = 90

Symmetry
Space Group	C 1 2 1

Diffraction

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray	100	CCD	SBC-2	mirrors	2003-12-16	M	SINGLE WAVELENGTH

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	APS BEAMLINE 19-ID	0.97835	APS	19-ID

Data Collection

Overall
ID #	Resolution (High)	Resolution (Low)	Percent Possible (Observed)	R Merge I (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	1.6	50	94.9	0.076	0.19	28.6	9.1	28822	27352	2	2

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)
	1.6	1.66	61.3		0.407	1.52	3	1760

Refinement

Statistics
Diffraction ID	Structure Solution Method	Cross Validation method	Resolution (High)	Resolution (Low)	Number Reflections (All)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Factor (All)	R-Factor (Observed)	R-Work	R-Free	R-Free Selection Details	Mean Isotropic B
X-RAY DIFFRACTION	SAD	THROUGHOUT	1.6	45.69	28822	27352	1377	94.96	0.20306	0.20306	0.20207	0.22052	RANDOM	21.441

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]
0.25			-0.8		0.56

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	40.68
r_dihedral_angle_4_deg	15.037
r_dihedral_angle_3_deg	13.482
r_dihedral_angle_1_deg	5.082
r_scangle_it	3.301
r_scbond_it	2.066
r_mcangle_it	1.378
r_angle_refined_deg	1.237
r_mcbond_it	0.86
r_nbtor_refined	0.303

RMS Deviations
Key	Refinement Restraint Deviation
r_dihedral_angle_2_deg	40.68
r_dihedral_angle_4_deg	15.037
r_dihedral_angle_3_deg	13.482
r_dihedral_angle_1_deg	5.082
r_scangle_it	3.301
r_scbond_it	2.066
r_mcangle_it	1.378
r_angle_refined_deg	1.237
r_mcbond_it	0.86
r_nbtor_refined	0.303
r_nbd_refined	0.209
r_symmetry_vdw_refined	0.195
r_symmetry_hbond_refined	0.169
r_xyhbond_nbd_refined	0.109
r_chiral_restr	0.085
r_bond_refined_d	0.01
r_gen_planes_refined	0.005

Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen Atoms	Number
Protein Atoms	1895
Nucleic Acid Atoms
Solvent Atoms	211
Heterogen Atoms

Software

Software
Software Name	Purpose
REFMAC	refinement
SBC-Collect	data collection
HKL-2000	data scaling
CNS	phasing

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.