6S2Q
Mycobacterial hydrolase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.54980 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 96.955, 46.103, 103.247 |
| Unit cell angles | 90.00, 104.29, 90.00 |
Refinement procedure
| Resolution | 50.026 - 2.500 |
| R-factor | 0.1894 |
| Rwork | 0.187 |
| R-free | 0.23290 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.109 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | Auto-Rickshaw |
| Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.030 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.085 | 0.433 |
| Rmeas | 0.089 | 0.464 |
| Rpim | 0.025 | 0.162 |
| Number of reflections | 27533 | 1685 |
| <I/σ(I)> | 26.1 | 4.3 |
| Completeness [%] | 88.7 | 49.8 |
| Redundancy | 12.2 | 7.8 |
| CC(1/2) | 0.999 | 0.911 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | MES pH 6.0, sodium iodide, PEG 6000 |
