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) |