3IQ5
Crystal structure of an engineered metal-free tetrameric cytochrome cb562 complex templated by Zn-coordination
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-30 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9800 |
| Spacegroup name | I 41 |
| Unit cell lengths | 69.153, 69.153, 186.935 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.229 |
| Rwork | 0.229 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hni |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.457 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.080 | 0.448 |
| Number of reflections | 27287 | |
| <I/σ(I)> | 10.8 | 1.5 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG 400, 0.1M Bis-Tris, 0.15M Sodium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
