2XIF
The structure of ascorbate peroxidase Compound II
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 | 2010-05-08 |
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 | 27.690 - 1.650 |
R-factor | 0.14594 |
Rwork | 0.143 |
R-free | 0.19543 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oaf |
RMSD bond length | 0.014 |
RMSD bond angle | 2.296 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.690 | 1.690 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.070 | 0.420 |
Number of reflections | 29734 | |
<I/σ(I)> | 12.1 | 2.11 |
Completeness [%] | 99.9 | 99.2 |
Redundancy | 3.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.3 | LISO4 2.25 M HEPES 0.1 M PH 8.3 |