1SJ2
Crystal structure of Mycobacterium tuberculosis catalase-peroxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.1 |
Synchrotron site | SRS |
Beamline | PX14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-11-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.488 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 150.330, 150.330, 154.281 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.710 - 2.410 |
Rwork | 0.211 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1MWV |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.710 | 2.490 |
High resolution limit [Å] | 2.410 | 2.410 |
Number of reflections | 61822 | |
<I/σ(I)> | 11.2 | 4.2 |
Completeness [%] | 90.4 | 89.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | PEG 3350, Sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |