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 |