9HYV
DtpB in complex with photocaged nitric oxide, 100 microsecond, 100 microjoule, SFX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2023-11-11 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.127 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.491, 124.436, 193.559 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.140 - 1.670 |
| R-factor | 0.21598 |
| Rwork | 0.216 |
| R-free | 0.24417 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.796 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 104.640 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 241930 | 9905 |
| <I/σ(I)> | 14.2 | 1.2 |
| Completeness [%] | 99.6 | |
| Redundancy | 47.3 | |
| CC(1/2) | 0.989 | 0.235 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 293 | 50 mM HEPES pH 7.5, 150 mM Magnesium chloride, 20% PEG 4000 |
