9EZR
XFEL structure of hNQO1 mixed with NADH in an extended orientation at 0.3 s
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | EUROPEAN XFEL BEAMLINE SPB/SFX |
| Synchrotron site | European XFEL |
| Beamline | SPB/SFX |
| Temperature [K] | 298 |
| Detector technology | PIXEL |
| Collection date | 2021-12-03 |
| Detector | AGIPD |
| Wavelength(s) | 1.3332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.600, 107.700, 198.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.640 - 2.510 |
| R-factor | 0.19995 |
| Rwork | 0.197 |
| R-free | 0.25490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.345 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.640 | 2.570 |
| High resolution limit [Å] | 2.500 | 2.510 |
| Number of reflections | 42064 | 42064 |
| <I/σ(I)> | 3.7 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 287 | 204 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 8.5 | 298 | 0.1 M Tris pH 8.5, 0.2 M sodium acetate, 25% polyethylene glycol (PEG) 3350 |
