3B3R
Crystal structure of Streptomyces cholesterol oxidase H447Q/E361Q mutant bound to glycerol (0.98A)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.93 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.314, 73.643, 63.275 |
Unit cell angles | 90.00, 104.98, 90.00 |
Refinement procedure
Resolution | 34.400 - 0.980 |
R-factor | 0.1292 |
R-free | 0.15890 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1MXT; ADP HETEROATOMS WATERS AND ACTIVE SITE SIDECHAINS REMOVED FROM STARTING MODEL |
RMSD bond length | 0.012 |
RMSD bond angle | 0.029 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | REFMAC |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.110 | 1.020 |
High resolution limit [Å] | 0.980 | 0.980 |
Rmerge | 0.066 | 0.480 |
Number of reflections | 259284 | |
<I/σ(I)> | 7.8 | 2.1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.75 | 3.38 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 291 | 10% PEG 8000, 75mM magnesium sulfate, 100mM cacodylate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |