1GEB
X-RAY CRYSTAL STRUCTURE AND CATALYTIC PROPERTIES OF THR252ILE MUTANT OF CYTOCHROME P450CAM
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 |
| Collection date | 2000-02-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.7 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 106.430, 103.440, 35.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.030 |
| R-factor | 0.187 * |
| Rwork | 0.187 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cpp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.110 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.060 | 0.211 |
| Total number of observations | 108401 * | |
| Number of reflections | 26966 | |
| <I/σ(I)> | 8.5 | 3.1 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 7.5 * | 12-15 * | Poulos, T.L., (1982) J. Biol. Chem., 257, 10427. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | 50 (mM) | ||
| 2 | 1 | 1 | 250 (mM) | ||
| 3 | 1 | 1 | dithiothreitol | 50 (mM) | |
| 4 | 1 | 2 | ammonium sulphate | 66-70 (%sat) |
