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 |