4ATJ
DISTAL HEME POCKET MUTANT (H42E) OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-07 |
| Detector | RIGAKU |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.930, 62.270, 78.230 |
| Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
| Resolution | 45.000 - 2.500 |
| Rwork | 0.162 |
| R-free | 0.19200 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2atj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 24.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.132 | 0.390 |
| Total number of observations | 79639 * | |
| Number of reflections | 23302 * | |
| <I/σ(I)> | 7 | 3 |
| Completeness [%] | 95.4 * | 95.4 |
| Redundancy | 3.4 * | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 283 * | pH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | H42E | 5.7 (mg/ml) | |
| 2 | 1 | reservoir | BHA | 2.5 (mM) | |
| 3 | 1 | reservoir | 1.2 (M) | ||
| 4 | 1 | reservoir | cacodylate | 0.1 (M) | pH6.5 |
