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 |
