5Z9Y
Crystal structure of Mycobacterium tuberculosis thiazole synthase (ThiG) complexed with DXP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-14 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 116.670, 116.670, 123.320 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.335 - 1.480 |
R-factor | 0.1646 |
Rwork | 0.163 |
R-free | 0.18840 |
RMSD bond length | 0.021 |
RMSD bond angle | 1.855 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 61.660 | 61.710 | 1.510 |
High resolution limit [Å] | 1.480 | 4.020 | 1.480 |
Rmeas | 0.088 | 0.041 | 2.408 |
Rpim | 0.014 | 0.007 | 0.521 |
Total number of observations | 2970865 | 152477 | 79137 |
Number of reflections | 82214 | 4500 | 3881 |
<I/σ(I)> | 26.2 | 90.6 | 1.4 |
Completeness [%] | 99.7 | 100 | 95.6 |
Redundancy | 36.1 | 33.9 | 20.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | 0.2 M sodium malonate pH 5.0, 20% (w/v) PEG 3350 |