3LHH
The crystal structure of CBS domain protein from Shewanella oneidensis MR-1.
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97937 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 38.605, 55.257, 78.822 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.578 - 2.100 |
R-factor | 0.2031 |
Rwork | 0.200 |
R-free | 0.26530 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.174 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.600 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.101 | 0.797 |
Number of reflections | 10353 | |
<I/σ(I)> | 28.1 | 1.52 |
Completeness [%] | 99.5 | 98.3 |
Redundancy | 8.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 0.1M Tri-Na-Citrate, 2% MPD, 25% PEG3350, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |