8BV4
Structure of BlaC from Mycobacterium tuberculosis in complex with vaborbactam
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 | 2020-12-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 53.490, 54.656, 78.109 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.820 - 1.950 |
R-factor | 0.19027 |
Rwork | 0.188 |
R-free | 0.22972 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gdn |
RMSD bond length | 0.008 |
RMSD bond angle | 1.523 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.820 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rpim | 0.124 | 0.566 |
Number of reflections | 17259 | 1172 |
<I/σ(I)> | 6.5 | 1.3 |
Completeness [%] | 99.9 | |
Redundancy | 1.9 | |
CC(1/2) | 0.985 | 0.703 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M MES/Imidazole buffer pH 8.5, 30% w/v EDO-P8K, 0.09M NPS (sodium nitrate, disodium hydrogen phosphate, ammonium sulfate) |