5I5C
X-ray crystal structure of allo-Thr31-ShK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-25 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.7749 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.743, 46.229, 40.064 |
| Unit cell angles | 90.00, 108.02, 90.00 |
Refinement procedure
| Resolution | 38.100 - 1.300 |
| R-factor | 0.12951 |
| Rwork | 0.127 |
| R-free | 0.16910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lfq |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.905 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.100 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.061 | 0.650 |
| Number of reflections | 31126 | |
| <I/σ(I)> | 9.5 | 1.7 |
| Completeness [%] | 97.8 | 99.6 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.2 M Ammonium sulfate, 0.1 M BIS-TRIS 25% w/v Polyethylene glycol 3,350 |
