6H2I
Structure of BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of tazobactam.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 39.632, 41.523, 76.417 |
| Unit cell angles | 103.83, 89.99, 90.79 |
Refinement procedure
| Resolution | 40.320 - 2.720 |
| R-factor | 0.20588 |
| Rwork | 0.203 |
| R-free | 0.26455 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gdn |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.512 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.320 | 2.820 |
| High resolution limit [Å] | 2.720 | 2.720 |
| Rpim | 0.054 | 0.130 |
| Number of reflections | 10698 | 587 |
| <I/σ(I)> | 9.5 | 4.7 |
| Completeness [%] | 84.3 | 47 |
| Redundancy | 1.7 | 1.7 |
| CC(1/2) | 0.994 | 0.949 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M sodium acetate buffer, pH 5.0 25% w/v PEG1500 |
