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 |