9W1V
Crystal structure of RD3796, a de novo designed rubredoxin from the template rubredoxin c. p.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-04-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 65 |
| Unit cell lengths | 56.312, 56.312, 31.240 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.160 - 1.700 |
| R-factor | 0.2194 |
| Rwork | 0.217 |
| R-free | 0.25850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.164 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.160 | 1.870 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.040 | 0.415 |
| Number of reflections | 6136 | 1377 |
| <I/σ(I)> | 26.68 | 2.42 |
| Completeness [%] | 96.8 | |
| Redundancy | 17.6 | |
| CC(1/2) | 0.998 | 0.802 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 293 | 1.6M Sodium citrate pH 6.5 |
