7R2S
Crystal structure of a flavodiiron protein D52K mutant from Escherichia coli pressurized with krypton gas
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-02-14 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9724 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 88.952, 64.425, 147.080 |
| Unit cell angles | 90.00, 91.46, 90.00 |
Refinement procedure
| Resolution | 52.340 - 2.194 |
| Rwork | 0.254 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | FlRd |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.572 |
| 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] | 52.340 | 2.300 |
| High resolution limit [Å] | 2.194 | 2.200 |
| Number of reflections | 41634 | 6564 |
| <I/σ(I)> | 5.7 | |
| Completeness [%] | 96.2 | |
| Redundancy | 2.6 | |
| CC(1/2) | 0.987 | 0.645 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.1 M sodium citrate pH 5.6, 20-23% w/v PEG 4000 and 23-25% v/v 2-propanol |
