1OKG
3-mercaptopyruvate sulfurtransferase from Leishmania major
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-06-21 |
Detector | ADSC CCD |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 109.574, 109.574, 67.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.700 - 2.100 |
R-factor | 0.212 |
Rwork | 0.208 |
R-free | 0.28700 |
Structure solution method | OTHER |
RMSD bond length | 0.016 * |
RMSD bond angle | 1.700 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 * | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.047 | 0.316 |
Total number of observations | 131345 * | |
Number of reflections | 23924 | |
<I/σ(I)> | 23.2 | 4.5 |
Completeness [%] | 97.8 | 97.2 |
Redundancy | 5.4 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 * | 20 * | pH 8.00 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 3.5 (mg/ml) | |
2 | 1 | reservoir | PEG8000 | 14 (%(w/v)) | |
3 | 1 | reservoir | sodium cacodylate | 80 (mM) | pH6.5 |
4 | 1 | reservoir | calcium acetate | 160 (mM) |