2QRW
Crystal structure of Mycobacterium tuberculosis trHbO WG8F mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-10-29 |
| Wavelength(s) | 0.931 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 187.312, 187.312, 274.467 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.930 |
| R-factor | 0.17752 |
| Rwork | 0.176 |
| R-free | 0.21475 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ngk |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.136 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.670 | 2.030 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.078 | 0.455 |
| Number of reflections | 178559 | |
| <I/σ(I)> | 13.7 | 2.3 |
| Completeness [%] | 98.7 | 91.4 |
| Redundancy | 4.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 2.2 M ammonium sulfate, 0.05 M phosphate buffer, 0.001 M KCN, pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
