1IO9
THERMOPHILIC CYTOCHROME P450 (CYP119) FROM SULFOLOBUS SOLFATARICUS: HIGH RESOLUTION STRUCTURAL ORIGIN OF ITS THERMOSTABILITY AND FUNCTIONAL PROPERTIES
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 87.587, 87.587, 223.151 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.050 |
| R-factor | 0.204 * |
| Rwork | 0.227 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Native CYP119 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.065 | 0.280 |
| Total number of observations | 306552 * | |
| Number of reflections | 51738 | |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 93.3 | 63.2 |
| Redundancy | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.4 * | 293 * | Park, S.Y., (2000) Acta Crystallogr., D56, 1173. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | sodium thiocyanate | 200 (mM) | |
| 2 | 1 | reservoir | PEG4000 | 20 (%(w/v)) | |
| 3 | 1 | drop | protein | 41 (mg/ml) |
