6S2R
Mycobacterial hydrolase 2
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 | 2012-12-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97718 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.953, 48.830, 93.477 |
| Unit cell angles | 90.00, 104.33, 90.00 |
Refinement procedure
| Resolution | 47.508 - 1.450 |
| R-factor | 0.1752 |
| Rwork | 0.174 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6s2q |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.033 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.510 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.082 | 1.427 |
| Rmeas | 0.093 | 1.614 |
| Rpim | 0.043 | 0.739 |
| Number of reflections | 75999 | 3740 |
| <I/σ(I)> | 8.4 | 1.1 |
| Completeness [%] | 99.0 | 98.9 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.998 | 0.506 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Calcium chloride dihydrate, PEG 3350 |
