4D9B
Pyridoxamine 5' phosphate (PMP) bound form of Salmonella typhimurium D-Cysteine desulfhydrase obtained after co-crystallization with D-cycloserine
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 | 66.318, 164.926, 68.314 |
Unit cell angles | 90.00, 118.97, 90.00 |
Refinement procedure
Resolution | 39.910 - 1.670 |
R-factor | 0.17231 |
Rwork | 0.171 |
R-free | 0.20593 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4d8t |
RMSD bond length | 0.028 |
RMSD bond angle | 2.231 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.730 |
High resolution limit [Å] | 1.670 | 1.670 |
Rmerge | 0.053 | 0.271 |
Number of reflections | 143652 | |
<I/σ(I)> | 33.94 | 3.68 |
Completeness [%] | 96.9 | 89.9 |
Redundancy | 4 |
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 D-Cycloserine, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |