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 |