3ZHH
X-ray structure of the full-length beta-lactamase from M.tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.737, 96.438, 111.005 |
Unit cell angles | 90.00, 108.48, 90.00 |
Refinement procedure
Resolution | 19.872 - 2.850 |
R-factor | 0.17 |
Rwork | 0.168 |
R-free | 0.22010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gdn |
RMSD bond length | 0.015 |
RMSD bond angle | 1.554 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.870 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.100 | 0.420 |
Number of reflections | 36698 | |
<I/σ(I)> | 12.52 | 4.07 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.2 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.8 | 100MM TRIS PH 7.8 2.1 M (NH4)2SO4 (NH4)2SO4 |