4D99
Salmonella typhimurium D-Cysteine desulfhydrase with L-ser bound non-covalently at the active site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-19 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 66.564, 165.492, 68.876 |
Unit cell angles | 90.00, 119.34, 90.00 |
Refinement procedure
Resolution | 32.630 - 2.010 |
R-factor | 0.21401 |
Rwork | 0.212 |
R-free | 0.25890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d8t |
RMSD bond length | 0.006 |
RMSD bond angle | 1.152 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.060 | 0.196 |
Number of reflections | 78475 | |
<I/σ(I)> | 44.72 | 8.39 |
Completeness [%] | 91.1 | 94.8 |
Redundancy | 7.1 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 298 | 1.5M Ammonium sulphate, 15% (v/v) ethylene glycol, 0.1M HEPES, 0.2% Benzamidine, 10mM L-ser, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |