6ZA6
M. tuberculosis salicylate synthase MbtI in complex with Ba2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-30 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.98012 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 88.040, 116.900, 94.090 |
Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
Resolution | 43.630 - 1.804 |
R-factor | 0.197 |
Rwork | 0.196 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rv7 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.900 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.630 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rpim | 0.030 | 0.595 |
Number of reflections | 173404 | 11664 |
<I/σ(I)> | 14.6 | |
Completeness [%] | 99.2 | |
Redundancy | 6.8 | |
CC(1/2) | 0.999 | 0.622 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.04 M KH2PO4, 16% PEG 8000, 16% glycerol. |