7RZL
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae R2846 in complex with 4-nitrophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-23 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97890 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.712, 77.700, 90.621 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.110 - 1.450 |
| R-factor | 0.1496 |
| Rwork | 0.147 |
| R-free | 0.19020 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.026 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 68981 | 3288 |
| <I/σ(I)> | 25.8 | 1.7 |
| Completeness [%] | 99.7 | |
| Redundancy | 11.4 | |
| CC(1/2) | 0.998 | 0.547 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.05 M magnesium chloride, 0.1 M HEPES, pH 7.5, 30% PEG550 MME |
