9CUF
Room temperature SSX structure of ccNiR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2023-09-12 |
| Detector | PSI JUNGFRAU 4M |
| Wavelength(s) | 1.12 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.840, 95.470, 228.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.490 - 3.300 |
| R-factor | 0.2206 |
| Rwork | 0.212 |
| R-free | 0.29820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.434 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.490 | 3.390 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 17548 | 860 |
| <I/σ(I)> | 4.3 | |
| Completeness [%] | 100.0 | |
| Redundancy | 19.37 | |
| CC(1/2) | 0.950 | 0.180 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.5 | 293 | 40% PEG 4K, 200 mM sodium malonate, 100 mM MES |
