5B7U
Apo Structure of Cysteine Desulfurase from Thermococcus onnurineus NA1 at 1.89A
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 78.488, 62.789, 171.317 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.177 - 1.900 |
R-factor | 0.16751 |
Rwork | 0.166 |
R-free | 0.20309 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b7s |
RMSD bond length | 0.020 |
RMSD bond angle | 1.896 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.062 | 0.306 |
Number of reflections | 66011 | |
<I/σ(I)> | 54.02 | 9 |
Completeness [%] | 97.0 | 91.9 |
Redundancy | 9.6 | 9.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 1mM PLP, 5mM cystine, 10% (v/v) Isopropanol, 5% (w/v) PEG 8000, Imidazol/HCl pH 5.9 |