4GZR
Crystal structure of the Mycobacterium tuberculosis H37Rv EsxOP (Rv2346c-Rv2347c) complex in space group C2221
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-06-08 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.282 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.100, 112.070, 95.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.050 - 2.553 |
R-factor | 0.202 |
Rwork | 0.199 |
R-free | 0.23270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ogi |
RMSD bond length | 0.014 |
RMSD bond angle | 1.225 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.4.0) |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.531 | 52.531 | 2.620 |
High resolution limit [Å] | 2.550 | 11.420 | 2.550 |
Rmerge | 0.065 | 0.042 | 0.675 |
Number of reflections | 13340 | 167 | 946 |
<I/σ(I)> | 14.9 | 30.99 | 2.72 |
Completeness [%] | 98.1 | 91.8 | 95.3 |
Redundancy | 5.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 291 | Reservoir: 11% PEG3350, 40 mM Citric Acid pH 3.5. Protein concentration: 7.8 mg/mL. Protein Buffer: 20 mM HEPES, pH 7.8, 150 mM NaCl, 2 mM ZnSO4, 38 mM B-ME., VAPOR DIFFUSION, HANGING DROP, temperature 291K |