2XJ6
The structure of ferrous ascorbate peroxidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-04 |
Detector | ADSC CCD |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 82.240, 82.240, 75.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.780 - 1.700 |
R-factor | 0.17252 |
Rwork | 0.170 |
R-free | 0.22545 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oaf |
RMSD bond length | 0.010 |
RMSD bond angle | 2.034 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CCP4 |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.780 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.110 | 0.560 |
Number of reflections | 27116 | |
<I/σ(I)> | 9.1 | 2.4 |
Completeness [%] | 94.5 | 96.3 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.3 | LISO4 2.25 M HEPES 0.1 M PH 8.3 |