5JPR
Neutron Structure of Compound II of Ascorbate Peroxidase
Experimental procedure
Experimental method | LAUE |
Source type | NUCLEAR REACTOR |
Source details | ILL BEAMLINE LADI III |
Synchrotron site | ILL |
Beamline | LADI III |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-10-14 |
Detector | MAATEL IMAGINE |
Wavelength(s) | 3.2 - 4.2 |
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 | 36.714 - 2.202 |
R-factor | 0.2401 |
Rwork | 0.236 |
R-free | 0.31040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xif |
RMSD bond length | 0.016 |
RMSD bond angle | 1.366 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.180 |
Number of reflections | 9220 |
<I/σ(I)> | 7 |
Completeness [%] | 69.8 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | 2.25 M Lithium sulfate, 0.1 M HEPES pH 8.3 - 8.9 |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 300 | 2.25 M Lithium sulfate, 0.1 M HEPES pH 8.3 - 8.9 |