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 |
