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 |
