4IF2
Structure of the phosphotriesterase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-01 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.005 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 68.032, 149.596, 74.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.362 - 2.270 |
R-factor | 0.1811 |
Rwork | 0.179 |
R-free | 0.22740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.103 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.270 |
Number of reflections | 128164 |
Completeness [%] | 99.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 293 | 0.1M HEPES pH 7.0, 55% MPD, 150mM NaSCN, EVAPORATION, temperature 293K |