4R5F
X-ray structure of the D199K mutant of the cysteine desulfurase IscS from A. fulgidus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-05-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 70.620, 102.890, 108.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.657 - 1.900 |
R-factor | 0.1531 |
Rwork | 0.151 |
R-free | 0.20080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hvk |
RMSD bond length | 0.011 |
RMSD bond angle | 1.253 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 30914 | |
Completeness [%] | 97.7 | 94.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.2 M calcium acetate, 0.1 sodium cacodylate pH 6.5, 15% (v/v) PEG 300, 2% (v/v) PEG 6000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |