3KOR
Crystal structure of a putative Trp repressor from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-11 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97960 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.973, 68.461, 73.170 |
Unit cell angles | 90.00, 96.86, 90.00 |
Refinement procedure
Resolution | 26.700 - 1.600 |
R-factor | 0.192 |
Rwork | 0.191 |
R-free | 0.22100 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.209 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (refmac_5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
High resolution limit [Å] | 1.600 | 3.950 | 1.600 |
Rmerge | 0.098 | 0.079 | 0.357 |
Number of reflections | 55538 | ||
<I/σ(I)> | 9.1 | ||
Completeness [%] | 99.7 | 99.6 | 96.3 |
Redundancy | 7.2 | 7.3 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 25% PEG3350, 0.2M sodium chloride, 0.1M HEPES pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |