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 |