1GEJ
STRUCTURAL CHARACTERIZATION OF N-BUTYL-ISOCYANIDE COMPLEXES OF CYTOCHROMES P450NOR AND P450CAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-02-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.7 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.590, 81.910, 85.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 1.500 |
| Rwork | 0.207 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rom |
| RMSD bond length | 0.007 |
| RMSD bond angle | 24.000 * |
| 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] | 25.000 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.056 | 0.278 |
| Number of reflections | 57289 | |
| <I/σ(I)> | 9.8 | 2.8 |
| Completeness [%] | 92.4 | 65.3 |
| Redundancy | 6.2 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 * | 4 * | Park, S-Y., (1997) FEBS. Lett., 412, 346. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 50 (mg/ml) | |
| 2 | 1 | drop | potassium phosphate | 20 (mM) | |
| 3 | 1 | drop | glycerol | 10 (%(v/v)) | |
| 4 | 1 | drop | dithiothreitol | 0.1 (mM) | |
| 5 | 1 | drop | EDTA | 0.1 (mM) | |
| 6 | 1 | reservoir | MES | 100 (mM) | |
| 7 | 1 | reservoir | PEG4000 |
