1I19
CRYSTAL STRUCTURE OF CHOLESTEROL OXIDASE FROM B.STEROLICUM
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 | 1999-08-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.440, 124.470, 80.840 |
| Unit cell angles | 90.00, 109.17, 90.00 |
Refinement procedure
| Resolution | 36.910 - 1.700 |
| R-factor | 0.182 * |
| Rwork | 0.182 |
| R-free | 0.20100 |
| Structure solution method | MIR |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.065 | 0.377 |
| Total number of observations | 550182 * | |
| Number of reflections | 150202 * | |
| <I/σ(I)> | 17.6 | 2.7 |
| Completeness [%] | 94.8 | 68.4 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 * | 22 * | Croteau, N., (1996) J.STRUCT.BIOL., 116, 317. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | PEG8000 | 12 (%) | |
| 2 | 1 | reservoir | 75 (mM) | ||
| 3 | 1 | reservoir | cacodylate | 100 (mM) | |
| 4 | 1 | drop | protein | 8.5 (mg/ml) | |
| 5 | 1 | drop | HEPES | 10 (mM) |
