1GEK
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 | 106.340, 102.740, 36.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| Rwork | 0.225 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cpp |
| RMSD bond length | 0.011 * |
| RMSD bond angle | 24.300 * |
| 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] | 100.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.358 |
| Number of reflections | 40825 | |
| <I/σ(I)> | 7.6 | 2.3 |
| Completeness [%] | 91.7 | 67.6 |
| Redundancy | 7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.4 * | 5 * | Imai, M., (1989) Proc. Natl. Acad. Sci., 86, 7823. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | enzyme | 0.008 (mM) | |
| 2 | 1 | 1 | potassium phosphate | 50 (mM) | |
| 3 | 1 | 1 | 50 (mM) | ||
| 4 | 1 | 1 | d-camphor | 1 (mM) |
