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 |
