4D02
The crystallographic structure of Flavorubredoxin 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 | 2013-02-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 6 2 2 |
| Unit cell lengths | 149.529, 149.529, 94.498 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 129.496 - 1.755 |
| R-factor | 0.1407 |
| Rwork | 0.141 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.924 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXCD |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 129.500 | 1.860 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.060 | 0.930 |
| Number of reflections | 60074 | |
| <I/σ(I)> | 28.4 | 1.64 |
| Completeness [%] | 95.5 | 75.4 |
| Redundancy | 14.2 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | VAPOUR DIFFUSION (HANGING DROP) AT 34C (307 K) USING 1.0UL OF PROTEIN AT14 MG/ML WITH 1 UL OF CRYSTALLIZATION SOLUTION (0.2M NA-CACODYLATE PH 6.5, 0.2 M MGACETATE, 20% PEG8000). |
