6DYF
Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.742, 82.882, 38.528 |
| Unit cell angles | 90.00, 98.96, 90.00 |
Refinement procedure
| Resolution | 41.441 - 1.100 |
| R-factor | 0.1473 |
| Rwork | 0.147 |
| R-free | 0.16490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bc5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.044 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.441 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.052 | 0.644 |
| Number of reflections | 87061 | 7327 |
| <I/σ(I)> | 16.8 | 2.46 |
| Completeness [%] | 87.0 | 84.45 |
| Redundancy | 6.5 | 6 |
| CC(1/2) | 0.999 | 0.941 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Drop consists of 2 uL of 30% PEG 400, 200 mM Magnesium Choride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 2.7 mM protein and 1.5 mM Copper(II) Sulfate |
