6DYC
Co(II)-bound structure of the engineered cyt cb562 variant, CH3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-3 |
| Synchrotron site | SSRL |
| Beamline | BL9-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.239, 83.290, 39.170 |
| Unit cell angles | 90.00, 100.49, 90.00 |
Refinement procedure
| Resolution | 38.515 - 1.330 |
| R-factor | 0.1769 |
| Rwork | 0.176 |
| R-free | 0.19150 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bc5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.092 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.515 | 1.363 |
| High resolution limit [Å] | 1.330 | 1.330 |
| Rmerge | 0.068 | 0.547 |
| Number of reflections | 46653 | 3702 |
| <I/σ(I)> | 12.8 | 2.4 |
| Completeness [%] | 94.9 | 93 |
| Redundancy | 6.2 | 4.4 |
| CC(1/2) | 0.998 | 0.772 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Drop consists of 2 uL of 25% PEG 3350, 200 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 3 mM protein and 3 mM Cobalt(II) Chloride |
