6NA4
Co crystal structure of ECR with Butryl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 277 |
Detector technology | PIXEL |
Collection date | 2017-07-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 109.342, 78.829, 138.786 |
Unit cell angles | 90.00, 108.06, 90.00 |
Refinement procedure
Resolution | 39.415 - 1.722 |
R-factor | 0.1701 |
Rwork | 0.170 |
R-free | 0.19790 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.006 |
RMSD bond angle | 1.013 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.415 | 39.415 | 1.830 |
High resolution limit [Å] | 1.720 | 5.130 | 1.720 |
Rmerge | 0.084 | 0.027 | 0.869 |
Rmeas | 0.091 | 0.029 | 0.952 |
Number of reflections | 446804 | 9170 | 31082 |
<I/σ(I)> | 15.55 | 51.4 | 1.64 |
Completeness [%] | 96.1 | 98.7 | 81.4 |
Redundancy | 6.676 | 6.75 | 5.946 |
CC(1/2) | 0.999 | 1.000 | 0.714 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 293 | MIDAS Screen |