6DYB
Metal-free 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) | 1.73 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 73.008, 73.008, 143.994 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.230 - 2.750 |
R-factor | 0.2347 |
Rwork | 0.226 |
R-free | 0.30920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bc5 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.205 |
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] | 63.230 | 2.962 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.074 | 0.463 |
Number of reflections | 6426 | 610 |
<I/σ(I)> | 26 | 6 |
Completeness [%] | 99.8 | 99.7 |
Redundancy | 16.5 | 13 |
CC(1/2) | 0.990 | 0.962 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Drop consists of 1 uL of 30% PEG 400, 200 mM calcium chloride and 0.1 M Hepes (pH 7.5) mixed with 1 uL of 2.5 mM protein |