4A78
cytochrome c peroxidase M119W in complex with guiacol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-10-20 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.000, 75.350, 106.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.830 - 2.010 |
R-factor | 0.16991 |
Rwork | 0.170 |
R-free | 0.23240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v23 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.900 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.980 | 2.120 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.050 | 0.300 |
Number of reflections | 24226 | |
<I/σ(I)> | 19.6 | 3.5 |
Completeness [%] | 97.9 | 96.2 |
Redundancy | 2.4 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |