5JQR
The Structure of Ascorbate Peroxidase Compound II formed by reaction with m-CPBA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-20 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 82.095, 82.095, 75.162 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.000 - 1.810 |
R-factor | 0.15651 |
Rwork | 0.154 |
R-free | 0.21421 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xif |
RMSD bond length | 0.020 |
RMSD bond angle | 1.979 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.000 | 1.840 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.160 | 0.690 |
Number of reflections | 22667 | |
<I/σ(I)> | 9.4 | |
Completeness [%] | 98.6 | |
Redundancy | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 300 | 2.25 M Lithium sulfate, 0.1 M HEPES pH 8.3 - 8.9 |