8OE5
Structure of P167S BlaC from Mycobacterium tuberculosis at pH 6.3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-09-30 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 40.627, 53.693, 56.273 |
Unit cell angles | 88.19, 69.58, 87.73 |
Refinement procedure
Resolution | 38.090 - 1.800 |
R-factor | 0.16032 |
Rwork | 0.159 |
R-free | 0.18724 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.516 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.640 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 39659 | 2372 |
<I/σ(I)> | 14 | |
Completeness [%] | 96.0 | 94.9 |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.864 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 293 | 0.1 M Na Cacod 6.3 pH (Buffer) 1.02 M Na3 Cit (Precipitant) |