8RG2
Structure of BlaC from Mycobacterium tuberculosis at pH 8
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 | 2022-11-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.8731 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.131, 54.633, 80.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.480 - 1.800 |
R-factor | 0.16235 |
Rwork | 0.161 |
R-free | 0.18853 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.496 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.480 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 22101 | 929 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 97.6 | |
Redundancy | 1.8 | |
CC(1/2) | 0.995 | 0.588 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Tris pH 8 (buffer) 20%w/v PEG 6K (precipitant) 0.01 M ZnCl2 (salt) |