4XWR
X-ray structure of perdeuterated Cholesterol Oxidase from Streptomyces SA-COO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.227, 73.102, 63.171 |
Unit cell angles | 90.00, 105.14, 90.00 |
Refinement procedure
Resolution | 40.959 - 1.100 |
R-factor | 0.0939 |
Rwork | 0.093 |
R-free | 0.10720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mxt |
RMSD bond length | 0.011 |
RMSD bond angle | 1.565 |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.980 | 46.827 | 1.160 |
High resolution limit [Å] | 1.100 | 3.480 | 1.100 |
Rmerge | 0.070 | 0.254 | |
Rmeas | 0.080 | ||
Rpim | 0.022 | 0.018 | 0.100 |
Total number of observations | 1910430 | 89290 | 187345 |
Number of reflections | 178806 | ||
<I/σ(I)> | 20.3 | 48.6 | 7.8 |
Completeness [%] | 98.4 | 100 | 96.4 |
Redundancy | 10.7 | 15.2 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.2 | 293 | PEG 8K, MnSO4, sodium cacodylate |