7S14
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae 86-028NP
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 | 2020-04-20 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.833, 54.779, 134.446 |
| Unit cell angles | 90.00, 90.04, 90.00 |
Refinement procedure
| Resolution | 42.470 - 1.650 |
| R-factor | 0.154 |
| Rwork | 0.152 |
| R-free | 0.19140 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.176 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.105 | 0.931 |
| Number of reflections | 97736 | 4709 |
| <I/σ(I)> | 11.9 | 0.98 |
| Completeness [%] | 98.9 | 96.4 |
| Redundancy | 4.4 | 3.9 |
| CC(1/2) | 0.992 | 0.453 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M calcium chloride, 20% w/v PEG3350 |
