6Q7P
Crystal structure of OE1.2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 33.980, 71.310, 52.890 |
| Unit cell angles | 90.00, 105.28, 90.00 |
Refinement procedure
| Resolution | 41.490 - 1.960 |
| R-factor | 0.1739 |
| Rwork | 0.172 |
| R-free | 0.21340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2uw6 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.743 |
| 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] | 41.490 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.056 | 0.480 |
| Rpim | 0.036 | 0.300 |
| Number of reflections | 17448 | 1718 |
| <I/σ(I)> | 11.15 | 2.06 |
| Completeness [%] | 99.5 | 98.85 |
| Redundancy | 3.4 | 3.4 |
| CC(1/2) | 0.998 | 0.830 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.05 M magnesium sulfate heptahydrate, 0.1 M HEPES pH 7.5, 28 % v/v PEG Smear Medium |
