2BLM

BETA-LACTAMASE OF BACILLUS LICHENIFORMIS 749(SLASH)C AT 2 ANGSTROMS RESOLUTION


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.1643.15

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 66.8α = 90
b = 90.7β = 104.5
c = 43.6γ = 90
Symmetry
Space GroupP 1 21 1

Diffraction

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

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-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2103273300.208
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_tor24.6
p_staggered_tor22.8
p_scangle_it4.4
p_planar_tor3.5
p_scbond_it3
p_mcangle_it2.3
p_mcbond_it1.6
p_chiral_restr0.21
p_multtor_nbd0.2
p_xhyhbond_nbd0.18
RMS Deviations
KeyRefinement Restraint Deviation
p_orthonormal_tor24.6
p_staggered_tor22.8
p_scangle_it4.4
p_planar_tor3.5
p_scbond_it3
p_mcangle_it2.3
p_mcbond_it1.6
p_chiral_restr0.21
p_multtor_nbd0.2
p_xhyhbond_nbd0.18
p_singtor_nbd0.17
p_angle_d0.046
p_planar_d0.018
p_bond_d0.014
p_angle_deg
p_hb_or_metal_coord
p_plane_restr
p_xyhbond_nbd
p_transverse_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms520
Nucleic Acid Atoms
Solvent Atoms
Heterogen Atoms

Software

Software
Software NamePurpose
PROLSQrefinement