6DYL
Vanadyl-bound structure of the engineered cyt b562 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 | C 2 2 21 |
Unit cell lengths | 49.031, 98.405, 178.753 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.200 - 1.691 |
R-factor | 0.1881 |
Rwork | 0.187 |
R-free | 0.22630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m6t |
RMSD bond length | 0.011 |
RMSD bond angle | 1.019 |
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] | 49.200 | 1.759 |
High resolution limit [Å] | 1.691 | 1.691 |
Rmerge | 0.079 | 0.334 |
Number of reflections | 48286 | 4705 |
<I/σ(I)> | 28.02 | 7.92 |
Completeness [%] | 98.6 | 98.1 |
Redundancy | 13.3 | 13.4 |
CC(1/2) | 0.999 | 0.972 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Drop consists of 1 uL of 35% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 5.5) mixed with 1 uL of 4 mM protein and 2.2 mM Vanadyl Sulfate (Anaerobic crystal growth) |