3AFF
Crystal structure of the HsaA monooxygenase from M. tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 69.140, 175.770, 179.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.760 - 2.000 |
R-factor | 0.20041 |
Rwork | 0.198 |
R-free | 0.23939 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jbs |
RMSD bond length | 0.021 |
RMSD bond angle | 1.853 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 2.000 |
Rmerge | 0.068 |
Number of reflections | 72634 |
<I/σ(I)> | 26.4 |
Completeness [%] | 95.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |