7S1A
Crystal structure of putative NAD(P)H-flavin oxidoreductase from Haemophilus influenzae Rd KW20
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-11-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 31 |
| Unit cell lengths | 56.815, 56.815, 122.924 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.680 - 1.970 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.21710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kqb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.903 |
| 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 | 2.000 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Number of reflections | 31244 | 1475 |
| <I/σ(I)> | 20.2 | 19 |
| Completeness [%] | 99.8 | |
| Redundancy | 7.2 | |
| CC(1/2) | 0.996 | 0.394 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 0.2 M ammonium acetate, 0.1 M Bis-Tris, pH 5.5, 17% PEG10000 |
