1MN2
MANGANESE PEROXIDASE SUBSTRATE BINDING SITE MUTANT E35Q, D179N
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-10-03 |
| Detector | SIEMENS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 163.240, 45.970, 53.570 |
| Unit cell angles | 90.00, 97.16, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.000 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| Structure solution method | DIFFERENCE FOURIER |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.359 |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR (3.8) |
| Refinement software | X-PLOR (3.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.200 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.106 * | |
| Total number of observations | 91040 * | |
| Number of reflections | 27424 | |
| <I/σ(I)> | 13.6 | 1.9 |
| Completeness [%] | 98.0 | 98 |
| Redundancy | 2.9 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.5 | 30% PEG 8000, 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE BUFFER, PH 6.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 4.5-9.5 (mg/ml) | |
| 2 | 1 | drop | PEG8000 | 15 (%) | |
| 3 | 1 | drop | ammonium sulfate | 0.1 (M) | |
| 4 | 1 | drop | sodium cacodylate | 0.05 (M) | |
| 5 | 1 | reservoir | sodium cacodylate | 0.1 (M) |
