1BNS | pdb_00001bns

STRUCTURAL STUDIES OF BARNASE MUTANTS


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.2545.4

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 59.37α = 90
b = 59.37β = 90
c = 82.166γ = 120
Symmetry
Space GroupP 32

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-ray

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Cut-off Sigma (F)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-Factor (Observed)R-Work (Depositor)R-Work (DCC)R-Free (Depositor)Mean Isotropic B
X-RAY DIFFRACTION2.0563176050.1690.17
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
KeyRefinement Restraint Deviation
p_orthonormal_tor20
p_staggered_tor19.33
p_scangle_it3.82
p_planar_tor2.63
p_scbond_it2.53
p_mcangle_it2.39
p_mcbond_it1.47
p_xhyhbond_nbd0.198
p_multtor_nbd0.188
p_singtor_nbd0.187
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor20
p_staggered_tor19.33
p_scangle_it3.82
p_planar_tor2.63
p_scbond_it2.53
p_mcangle_it2.39
p_mcbond_it1.47
p_xhyhbond_nbd0.198
p_multtor_nbd0.188
p_singtor_nbd0.187
p_chiral_restr0.138
p_planar_d0.058
p_angle_d0.052
p_bond_d0.018
p_plane_restr0.015
p_angle_deg
p_hb_or_metal_coord
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2553
Nucleic Acid Atoms
Solvent Atoms224
Heterogen Atoms

Software

Software
Software NamePurpose
PROLSQrefinement