5U8X
Crystal structure of Fe-CAO1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.72200 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 100.908, 100.908, 448.815 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.138 - 2.165 |
Rwork | 0.181 |
R-free | 0.20550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ou9 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.921 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.140 | 2.300 |
High resolution limit [Å] | 2.165 | 2.170 |
Rmerge | 0.157 | 1.711 |
Number of reflections | 128129 | 12800 |
<I/σ(I)> | 17 | 0.93 |
Completeness [%] | 89.8 | 56.2 |
Redundancy | 17.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 281 | Sodium polyacrylate, HEPES, pH 6.5 |