4OP0
Crystal structure of biotin protein ligase (RV3279C) of Mycobacterium tuberculosis, complexed with biotinyl-5'-AMP
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 | 2006-02-26 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.737, 75.406, 77.599 |
| Unit cell angles | 90.00, 97.92, 90.00 |
Refinement procedure
| Resolution | 31.360 - 1.700 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cgh |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.749 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3.0040) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.360 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 51119 | |
| <I/σ(I)> | 15.6 | 3.25 |
| Completeness [%] | 97.4 | 95.9 |
| Redundancy | 12 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 0.1 M Tris-HCl, pH 7.8, 0.2 M lithium sulfate, 25% PEG4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
