7R2P
Crystal structure of a flavodiiron protein D52K/S262Y mutant in the oxidized state from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-14 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 88.926, 64.812, 147.010 |
| Unit cell angles | 90.00, 91.60, 90.00 |
Refinement procedure
| Resolution | 75.296 - 2.538 |
| Rwork | 0.220 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | FlRd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 0.405 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_1436) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.390 | 2.640 |
| High resolution limit [Å] | 2.538 | 2.540 |
| Number of reflections | 27589 | 4039 |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 97.8 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.979 | 0.528 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293.15 | 0.1 M sodium citrate pH 5.6, 20-23% w/v PEG 4000 and 23-25% v/v 2-propanol |
