3O72
Crystal structure of EfeB in complex with heme
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.640, 155.568, 97.374 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.171 |
| Rwork | 0.170 |
| R-free | 0.20570 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.106 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
| Rmerge | 0.103 | 0.058 | 0.448 |
| Number of reflections | 104514 | ||
| <I/σ(I)> | 20.4 | 37.9 | 3.6 |
| Completeness [%] | 96.1 | 99.9 | 92.4 |
| Redundancy | 6.5 | 7.5 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 20% PEG 3350, 0.2M ammonium chloride, pH 8.0, VAPOR DIFFUSION, temperature 293K |
