1N4W
ATOMIC RESOLUTION STRUCTURE OF CHOLESTEROL OXIDASE @ pH 7.3 (STREPTOMYCES SP. SA-COO)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-03-27 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.343, 72.959, 63.045 |
Unit cell angles | 90.00, 105.25, 90.00 |
Refinement procedure
Resolution | 31.300 - 0.920 |
Rwork | 0.103 |
R-free | 0.12200 |
Structure solution method | AB INITIO PHASING |
Starting model (for MR) | 1mxt |
RMSD bond length | 0.016 |
RMSD bond angle | 0.032 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.300 | 0.940 |
High resolution limit [Å] | 0.920 | 0.920 |
Rmerge | 0.041 | 0.607 |
Number of reflections | 294009 | |
<I/σ(I)> | 13.8 | 1.4 |
Completeness [%] | 94.1 | 66.8 |
Redundancy | 3.2 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.3 | PEG 8000, MANGANESE SULFATE, MES, pH 7.3 |