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 |
