6DYI
Co(II)-bound structure of the engineered cyt cb562 variant, H3
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 | 2017-07-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 44.580, 45.940, 126.509 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.250 - 1.964 |
| R-factor | 0.2096 |
| Rwork | 0.204 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bc5 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.668 |
| 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] | 63.250 | 2.087 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.139 | 0.667 |
| Number of reflections | 9672 | 924 |
| <I/σ(I)> | 9.1 | 2.1 |
| Completeness [%] | 99.8 | 97 |
| Redundancy | 10.7 | 11 |
| CC(1/2) | 0.988 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | Drop consists of 1 uL of 25% PEG 5000 MME, 200 mM Calcium Chloride and 0.1 M Tris (pH 8.5) mixed with 1 uL of 5 mM protein and 10 mM Cobalt(II) Chloride |
