2XIH
The structure of ascorbate peroxidase Compound III
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 | 81.960, 81.960, 75.198 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.990 - 1.650 |
R-factor | 0.16352 |
Rwork | 0.161 |
R-free | 0.20057 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oaf |
RMSD bond length | 0.013 |
RMSD bond angle | 2.177 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | XDS |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 1.690 | 1.524 |
High resolution limit [Å] | 1.485 | 1.485 |
Rmerge | 0.070 | 0.420 |
Number of reflections | 35606 | |
<I/σ(I)> | 12.1 | 2.11 |
Completeness [%] | 99.7 | 99.2 |
Redundancy | 3.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.3 | LISO4 2.25M, HEPES 0.1M, PH8.3 |