5FFQ
ChuY: An Anaerobillin Reductase from Escherichia coli O157:H7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2014-06-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.486, 63.201, 66.535 |
Unit cell angles | 90.00, 106.67, 90.00 |
Refinement procedure
Resolution | 38.400 - 2.000 |
R-factor | 0.1806 |
Rwork | 0.178 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qvo |
RMSD bond length | 0.008 |
RMSD bond angle | 0.999 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (1.8.4_1496) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.400 | |
High resolution limit [Å] | 2.000 | |
Number of reflections | 27184 | |
<I/σ(I)> | 2.82 | |
Completeness [%] | 99.7 | 97 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 0.1 M Bis Tris pH 5.6, 0.2 M Lithium Sulfate, 18% PEG 3350, 10% 1,4 Butanediol |