2CGH
crystal structure of biotin ligase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-05-09 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.099, 81.007, 101.881 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.370 - 1.800 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hxd |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.775 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CaspR |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.380 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.040 | 0.560 |
| Number of reflections | 48344 | |
| <I/σ(I)> | 36.3 | 3.9 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 16 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 0.1M TRIS HCL PH8.5, 0.2M TRIMETHYLAMINE N-OXIDE, 20%(W/V) MPEG 2000, pH 8.50 |
