6AUH
Artificial Metalloproteins Containing a Co4O4 Active Site - 2xm-S112Y-a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 57.701, 57.701, 183.768 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.290 - 1.600 |
R-factor | 0.19641 |
Rwork | 0.195 |
R-free | 0.21937 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qcb |
RMSD bond length | 0.032 |
RMSD bond angle | 5.701 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 37.290 |
High resolution limit [Å] | 1.600 |
Rmerge | 0.180 |
Number of reflections | 21112 |
<I/σ(I)> | 8.9 |
Completeness [%] | 99.9 |
Redundancy | 10.6 |
CC(1/2) | 0.944 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2.6 M ammonium sulfate, 0.1 M sodium acetate, pH 4.0 |