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 |
