7R0F
Crystal structure of a flavodiiron protein D52K mutant in the oxidized state from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 88.958, 64.051, 146.480 |
| Unit cell angles | 90.00, 91.14, 90.00 |
Refinement procedure
| Resolution | 73.320 - 1.978 |
| R-factor | 0.2054 |
| Rwork | 0.205 |
| R-free | 0.20540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | FlRD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.580 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_1436) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.810 | 2.070 |
| High resolution limit [Å] | 1.978 | 1.980 |
| Rpim | 0.088 | |
| Number of reflections | 56529 | 8571 |
| <I/σ(I)> | 5.8 | |
| Completeness [%] | 95.9 | |
| Redundancy | 3.4 | |
| CC(1/2) | 0.987 | 0.670 |
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 |
