5H8C
Truncated XPD
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 | 2013-12-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.988 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.800, 77.800, 99.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.000 - 2.290 |
| R-factor | 0.20511 |
| Rwork | 0.203 |
| R-free | 0.23912 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.676 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 | 2.350 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.033 | 0.690 |
| Number of reflections | 23154 | |
| <I/σ(I)> | 18.2 | 2.3 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 4.8 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 298 | PEG |
