6Q7Q
Crystal structure of OE1.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.952, 71.125, 51.922 |
| Unit cell angles | 90.00, 106.33, 90.00 |
Refinement procedure
| Resolution | 40.810 - 1.900 |
| R-factor | 0.1787 |
| Rwork | 0.176 |
| R-free | 0.22410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uw6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.711 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_3304) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.810 | 1.968 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.054 | 0.396 |
| Rmeas | 0.064 | |
| Rpim | 0.035 | 0.265 |
| Number of reflections | 18693 | 1841 |
| <I/σ(I)> | 11.56 | 2.28 |
| Completeness [%] | 99.6 | 97.97 |
| Redundancy | 3.3 | 3.2 |
| CC(1/2) | 0.998 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.02 M calcium chloride dihydrate 0.1 M sodium acetate pH 4.6, 30 % v/v MPD |
