3QVO
Structure of a Rossmann-fold NAD(P)-binding family protein from Shigella flexneri.
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 | 2009-04-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97953, 0.97940 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 73.524, 73.524, 130.246 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.760 - 2.300 |
R-factor | 0.21652 |
Rwork | 0.215 |
R-free | 0.25075 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.621 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
Rmerge | 0.082 | 0.061 | 0.645 |
Number of reflections | 16455 | ||
<I/σ(I)> | 8.9 | ||
Completeness [%] | 99.5 | 91.5 | 100 |
Redundancy | 11.6 | 9.7 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 294 | 1M potassium/sodium phosphate pH 6.9, 1.25mM DNTB, 15% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 294K |