5WES
Crystal Structure H2-Dd with disulfide-linked 5mer peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2016-06-12 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.507, 63.029, 91.978 |
| Unit cell angles | 90.00, 105.41, 90.00 |
Refinement procedure
| Resolution | 37.050 - 2.706 |
| R-factor | 0.1976 |
| Rwork | 0.195 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.704 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.720 | 2.790 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rmerge | 0.201 | 0.503 |
| Rpim | 0.085 | 0.220 |
| Number of reflections | 14293 | 1067 |
| <I/σ(I)> | 12.8 | 3.7 |
| Completeness [%] | 97.0 | 71.6 |
| Redundancy | 6.6 | 5.8 |
| CC(1/2) | 0.987 | 0.923 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 10-15% PEG 20000, 0.1M MES |
