6DYK
Iron- and Nitric Oxide-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) | 1.73 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 48.919, 98.690, 178.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.345 - 1.955 |
R-factor | 0.206 |
Rwork | 0.203 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1m6t |
RMSD bond length | 0.019 |
RMSD bond angle | 0.405 |
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] | 49.345 | 2.004 |
High resolution limit [Å] | 1.955 | 1.955 |
Rmerge | 0.089 | 0.192 |
Number of reflections | 31848 | 3092 |
<I/σ(I)> | 28.5 | 12.2 |
Completeness [%] | 99.5 | 98.1 |
Redundancy | 12.6 | 12 |
CC(1/2) | 0.998 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | Drop consists of 2 uL of 25% PEP 426, 50 mM Magnesium Chloride and 0.1 M Bis-Tris (pH 6.0) mixed with 1 uL of 4 mM protein and 2.2 mM Iron(II) Sulfate (Anaerobic crystal growth). Diethylamine NONOate (5 mM) was added to mother liquor prior to crystal harvest |