1GED
A positive charge route for the access of nadh to heme formed in the distal heme pocket of cytochrome p450nor
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) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.320, 78.050, 86.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.21 * |
| Rwork | 0.214 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rom |
| RMSD bond length | 0.007 * |
| RMSD bond angle | 1.200 * |
| 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] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.065 | 0.305 |
| Total number of observations | 79264 * | |
| Number of reflections | 23487 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 91.9 | 80.1 |
| Redundancy | 3.4 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.6 * | 293 * | PEG4000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 10 (mM) | ||
| 2 | 1 | reservoir | MES | 100 (mM) | |
| 3 | 1 | reservoir | PEG4000 | ||
| 4 | 1 | drop | protein | 45 (mg/ml) |
