2X08
cytochrome c peroxidase: ascorbate bound to the engineered ascorbate binding site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-01-10 |
Detector | RIGAKU-MSC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.000, 74.490, 106.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.920 - 2.010 |
R-factor | 0.20148 |
Rwork | 0.201 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v23 |
RMSD bond length | 0.017 |
RMSD bond angle | 1.637 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.480 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.090 | 0.350 |
Number of reflections | 25406 | |
<I/σ(I)> | 14.1 | 1.7 |
Completeness [%] | 97.3 | 98.5 |
Redundancy | 2.9 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6 | DIALYSIS AGAINST PHOSPHATE BUFFER 50 MM PH 6, MPD 30% |