7A72
Structure of G132S BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-16 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.912 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.488, 54.658, 78.202 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.840 - 1.300 |
R-factor | 0.154 |
Rwork | 0.152 |
R-free | 0.18938 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6h2k |
RMSD bond length | 0.016 |
RMSD bond angle | 1.940 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.200 | 1.320 |
High resolution limit [Å] | 1.300 | 1.300 |
Rpim | 0.038 | 0.582 |
Number of reflections | 56098 | 2775 |
<I/σ(I)> | 11.1 | 1.3 |
Completeness [%] | 98.2 | |
Redundancy | 5.7 | 5.6 |
CC(1/2) | 0.999 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.3 | 293 | 0.1 M Sodium Cacodylate, 15% PEG-SB, 10% Ethylene Glycol, 5% TMate |