1IO8
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) | 0.7 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 85.522, 85.522, 221.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.228 * |
| Rwork | 0.230 |
| R-free | 0.30700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Native CYP119 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.056 | 0.463 |
| Total number of observations | 188348 * | |
| Number of reflections | 53362 | |
| <I/σ(I)> | 16.7 | 2.6 |
| Completeness [%] | 94.9 | 86.2 |
| Redundancy | 3.5 | 3.2 |
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) |
