9NCU
NitrOFF1 "OFF" State
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-01-24 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 1.00 |
| Spacegroup name | H 3 |
| Unit cell lengths | 275.598, 275.598, 438.756 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.830 - 3.170 |
| R-factor | 0.2284 |
| Rwork | 0.228 |
| R-free | 0.27220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.252 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.220 |
| High resolution limit [Å] | 3.170 | 3.170 |
| Rmerge | 0.170 | 0.550 |
| Rpim | 0.102 | 0.275 |
| Number of reflections | 401073 | 20272 |
| <I/σ(I)> | 5.3 | |
| Completeness [%] | 99.4 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.935 | 0.686 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.4 | 300 | 1 M Ammonium Sulfate, 0.1M Sodium Acetate (pH 5.4) |
