6DY8
Mn(II)-bound structure of the engineered cyt cb562 variant, CH2EY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 75.661, 37.591, 77.323 |
| Unit cell angles | 90.00, 104.39, 90.00 |
Refinement procedure
| Resolution | 37.590 - 1.900 |
| R-factor | 0.2286 |
| Rwork | 0.226 |
| R-free | 0.27840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bc5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.654 |
| 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] | 37.590 | 1.951 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.134 | 0.354 |
| Number of reflections | 33090 | 3296 |
| <I/σ(I)> | 3.2 | 1 |
| Completeness [%] | 98.0 | 98.7 |
| Redundancy | 2.7 | 2.6 |
| CC(1/2) | 0.978 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Drop consists of 1 uL of 25% PEG 1500, 200 mM Calcium Chloride, and 0.1 M Tris (pH 8.5) mixed with 1 uL of 3.5 mM protein and 3.5 mM Manganese(II)Chloride |
