4PHI
Crystal structure of HEWL with hexatungstotellurate(VI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-08-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.02070 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.010, 60.010, 261.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.247 - 1.811 |
| R-factor | 0.1876 |
| Rwork | 0.187 |
| R-free | 0.19950 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.717 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.250 | 1.859 |
| High resolution limit [Å] | 1.811 | 1.810 |
| Rmerge | 0.190 | 1.702 |
| Number of reflections | 80356 | |
| <I/σ(I)> | 15.72 | |
| Completeness [%] | 100.0 | 99.89 |
| Redundancy | 19.6 | 17.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 1.2 M sodium chloride, 0.1 M sodium acetate pH 4.8 |
