8JY1
Structure of Mangifera Indica Epoxide hydrolase 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 99.040, 99.040, 172.784 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.600 - 2.400 |
R-factor | 0.1776 |
Rwork | 0.176 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.459 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.600 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.099 | 0.907 |
Rmeas | 0.104 | 0.943 |
Rpim | 0.029 | 0.258 |
Total number of observations | 447486 | 46837 |
Number of reflections | 34442 | 3542 |
<I/σ(I)> | 21.3 | 2.9 |
Completeness [%] | 100.0 | |
Redundancy | 13 | 13.2 |
CC(1/2) | 0.999 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.1M trisodium citrate, 0.2M ammonium acetate, 30%w/v PEG 4000 |