5GQO

Structure of the second Single Stranded DNA Binding protein (SSBb) from Mycobacterium smegmatis


X-RAY DIFFRACTION

Crystallization

Crystalization Experiments
IDMethodpHTemperatureDetails
1MICROBATCH7.52980.2M calcium chloride dihydrate, 0.1M HEPES pH 7.5, 7.5 % (v/v) PEG 400, 3% (w/v) 1,5-diaminopentane dihydrochloride
Crystal Properties
Matthews coefficientSolvent content
2.2239.69

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 73.61α = 90
b = 73.61β = 90
c = 216.21γ = 120
Symmetry
Space GroupP 65 2 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray100IMAGE PLATEMAR scanner 345 mm platemirrors2015-08-16MSINGLE WAVELENGTH
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1ROTATING ANODEBRUKER AXS MICROSTAR1.5419

Data Collection

Overall
ID #Resolution (High)Resolution (Low)Percent Possible (Observed)R Merge I (Observed)R Sym I (Observed)CC (Half)Net I Over Average Sigma (I)RedundancyNumber Reflections (All)Number Reflections (Observed)Observed Criterion Sigma (F)Observed Criterion Sigma (I)B (Isotropic) From Wilson Plot
12.543.2499.90.0930.0930.99916.49.912839254.9
Highest Resolution Shell
ID #Resolution (High)Resolution (Low)Percent Possible (All)Percent Possible (Observed)R Merge I (Observed)CC (Half)Mean I Over Sigma (Observed)RedundancyNumber Unique Reflections (All)
12.52.641000.10.6712.39.6

Refinement

Statistics
Diffraction IDStructure Solution MethodCross Validation methodStarting modelResolution (High)Resolution (Low)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-WorkR-FreeR-Free Selection DetailsMean Isotropic B
X-RAY DIFFRACTIONMOLECULAR REPLACEMENTTHROUGHOUT3EIV2.543.241214062499.910.213340.211230.25627RANDOM54.635
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]
0.080.040.08-0.24
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg31.482
r_dihedral_angle_4_deg22.772
r_dihedral_angle_3_deg19.685
r_long_range_B_other11.132
r_long_range_B_refined11.123
r_scangle_other8.291
r_mcangle_other7.764
r_mcangle_it7.761
r_dihedral_angle_1_deg7.358
r_scbond_it5.555
RMS Deviations
KeyRefinement Restraint Deviation
r_dihedral_angle_2_deg31.482
r_dihedral_angle_4_deg22.772
r_dihedral_angle_3_deg19.685
r_long_range_B_other11.132
r_long_range_B_refined11.123
r_scangle_other8.291
r_mcangle_other7.764
r_mcangle_it7.761
r_dihedral_angle_1_deg7.358
r_scbond_it5.555
r_scbond_other5.552
r_mcbond_it5.211
r_mcbond_other5.183
r_angle_refined_deg1.775
r_angle_other_deg1.163
r_chiral_restr0.105
r_bond_refined_d0.016
r_gen_planes_refined0.009
r_bond_other_d0.005
r_gen_planes_other0.004
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_scangle_it
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms1493
Nucleic Acid Atoms
Solvent Atoms45
Heterogen Atoms1

Software

Software
Software NamePurpose
REFMACrefinement
iMOSFLMdata reduction
SCALAdata scaling
PHASERphasing