4JIC
Glycerol Trinitrate Reductase NerA from Agrobacterium radiobacter
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97240 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.446, 93.018, 180.496 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.468 - 1.600 |
| R-factor | 0.1603 |
| Rwork | 0.159 |
| R-free | 0.18950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1h50 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.073 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.248 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 149769 | |
| <I/σ(I)> | 7 | 2.3 |
| Completeness [%] | 98.5 | 97.5 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6 | 293 | 0.2 M ammonium sulfate, 0.1 M BIS-TRIS, 25% w/v polyethylene glycol 3,350, pH 6.0, Microbatch, temperature 293K |
