6DYD
Cu(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 | 32.569, 87.770, 37.460 |
| Unit cell angles | 90.00, 95.56, 90.00 |
Refinement procedure
| Resolution | 37.280 - 1.724 |
| R-factor | 0.2011 |
| Rwork | 0.196 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bc5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.003 |
| 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] | 37.280 | 1.767 |
| High resolution limit [Å] | 1.724 | 1.724 |
| Rmerge | 0.150 | |
| Number of reflections | 21162 | 2115 |
| <I/σ(I)> | 13.3 | 1 |
| Completeness [%] | 96.9 | 79.9 |
| Redundancy | 6.8 | 1.7 |
| CC(1/2) | 0.957 | 0.741 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Drop consists of 2 uL of 45% MPD, 200 mM calcium chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 2 uL of 2 mM protein and 2 mM Copper(II) sulfate |
