5AIQ
Crystal structure of ligand-free NadR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-13 |
| Detector | DECTRIS PILATUS 2M-F |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 69.470, 69.470, 253.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.228 - 2.716 |
| R-factor | 0.2201 |
| Rwork | 0.217 |
| R-free | 0.27220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5aip |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.823 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.200 | 2.880 |
| High resolution limit [Å] | 2.700 | 2.720 |
| Rmerge | 0.110 | 0.740 |
| Number of reflections | 17700 | |
| <I/σ(I)> | 22.6 | 3.8 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 12.7 | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 50 % PEG 3350, 0.13 M DI-AMMONIUM HYDROGEN CITRATE |
