4GQA
Crystal structure of NAD binding oxidoreductase from Klebsiella pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 116.418, 113.026, 132.174 |
| Unit cell angles | 90.00, 90.54, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.420 |
| R-factor | 0.18805 |
| Rwork | 0.186 |
| R-free | 0.22978 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.641 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 (SHELXD) |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.460 |
| High resolution limit [Å] | 2.420 | 2.420 |
| Rmerge | 0.091 | 0.648 |
| Number of reflections | 65155 | |
| <I/σ(I)> | 21.7 | 2.2 |
| Completeness [%] | 99.4 | 98.9 |
| Redundancy | 4.3 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 289 | 20% (w/v) PEG 3350, 0.2M di-Amonium citrate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
