3HWI
Crystal structure of probable thiosulfate sulfurtransferase Cysa2 (Rhodanese-like protein) from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-05 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.446, 69.622, 83.110 |
Unit cell angles | 90.00, 108.14, 90.00 |
Refinement procedure
Resolution | 28.880 - 2.290 |
R-factor | 0.18 |
Rwork | 0.177 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uar |
RMSD bond length | 0.015 |
RMSD bond angle | 1.428 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.380 |
High resolution limit [Å] | 2.290 | 2.290 |
Rmerge | 0.106 | 0.188 |
Number of reflections | 24551 | |
<I/σ(I)> | 17.208 | 7.9 |
Completeness [%] | 92.4 | 99.8 |
Redundancy | 6.3 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | JCSG+ sparse matrix screen condition h10, 25% PEG 3350, 0.1 M BisTris pH 5.5, 0.2 M ammonium acetate, 37.4 mg/mL protein, VAPOR DIFFUSION, SITTING DROP, temperature 289K |