5OWG
Structure of PcyX_EBK42635
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-21 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 2.0664 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 78.710, 78.710, 68.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.447 - 2.200 |
| R-factor | 0.3032 |
| Rwork | 0.302 |
| R-free | 0.31840 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.546 |
| Data reduction software | XDS (built 20161205) |
| Data scaling software | XSCALE (built 20170601) |
| Phasing software | PHENIX (1.12-2829) |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.450 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 24230 | 1787 |
| <I/σ(I)> | 24.4 | 0.51 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 120 | 36.36 |
| CC(1/2) | 1.000 | 0.322 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1 M Tris/HCl pH 8.5, 0.05 M Trimethylamine N-oxide, 15% (w/v) PEG MME 2000 |
