32C2
STRUCTURE OF AN ACTIVITY SUPPRESSING FAB FRAGMENT TO CYTOCHROME P450 AROMATASE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 287 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 154.890, 73.510, 36.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 99.000 - 3.000 |
| R-factor | 0.2124 * |
| Rwork | 0.213 |
| R-free | 0.31700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1flr |
| RMSD bond length | 1.052 |
| RMSD bond angle | 26.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS (0.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 3.190 |
| High resolution limit [Å] | 2.900 | 3.000 |
| Rmerge | 0.091 * | |
| Total number of observations | 42185 * | |
| Number of reflections | 9161 | |
| Completeness [%] | 91.1 | 71.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 4.4 | 0.2M SODIUM ACETATE, PH 4.4 @ 12 MG/ML. PRECIPITANT WAS 25% PEG 3350, pH 4.40 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium acetate | 0.2 (M) | |
| 2 | 1 | drop | sodium azide | 10 (mM) | |
| 3 | 1 | drop | Fab | 12 (mg/ml) | |
| 4 | 1 | reservoir | PEG3350 | 25 (%) | |
| 5 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 6 | 1 | reservoir | 10 (mM) |
