4NHE
The crystal structure of oxidoreductase (Gfo/Idh/MocA family) from Streptococcus pneumoniae TIGR4 in complex with NADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-02 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97910 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 97.768, 195.905, 349.301 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.174 - 1.950 |
| R-factor | 0.1774 |
| Rwork | 0.176 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | :4IQ0 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.050 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.500 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.081 | 0.731 |
| Number of reflections | 117182 | |
| <I/σ(I)> | 28 | 1.52 |
| Completeness [%] | 97.2 | 98.4 |
| Redundancy | 4.7 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 289 | 0.1M Sodium Acetate:HCl, 3.5M sodium format, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
