2XI6
The structure of ascorbate peroxidase Compound I
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 | 2009-11-29 |
| Detector | ADSC CCD |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 82.030, 82.030, 75.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.650 |
| R-factor | 0.1495 |
| Rwork | 0.148 |
| R-free | 0.17550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oaf |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (NULL) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.730 | 27.730 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.050 | 0.150 |
| Number of reflections | 35491 | |
| <I/σ(I)> | 14.61 | 4.48 |
| Completeness [%] | 88.6 | 84.7 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.3 | LISO4 2.25 M HEPES 0.1 M PH 8.3 |
