5ENK
Compound 18
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 101.924, 101.924, 171.025 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 88.390 - 2.110 |
| R-factor | 0.23361 |
| Rwork | 0.233 |
| R-free | 0.25365 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.873 |
| Data reduction software | HKL-2000 |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 88.390 |
| High resolution limit [Å] | 2.110 |
| Number of reflections | 30771 |
| <I/σ(I)> | 28.6 |
| Completeness [%] | 99.8 |
| Redundancy | 19.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 295 | 10% PEG MME 5K, 9% PEG 8K, 0.2 M NH4I, 0.2 M Na-citrate pH 6.4 |
