9LQ9
Crysral structure of NrN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 153 |
| Detector technology | PIXEL |
| Collection date | 2024-04-20 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 65 |
| Unit cell lengths | 112.270, 112.270, 40.040 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.750 - 2.380 |
| R-factor | 0.2018 |
| Rwork | 0.200 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.296 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.750 | 2.440 |
| High resolution limit [Å] | 2.380 | 2.380 |
| Number of reflections | 11819 | 860 |
| <I/σ(I)> | 12.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 19.3 | |
| CC(1/2) | 0.998 | 0.449 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 10% v/v 2-Propanol, 0.1 M BICINE pH 8.5, 30% w/v Polyethylene glycol 1,500 |
