6KWK
Crystal structure of pSLA-1*0401 complex with FMDV-derived epitope MTAHITVPY
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97931 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.671, 77.146, 62.317 |
| Unit cell angles | 90.00, 119.42, 90.00 |
Refinement procedure
| Resolution | 28.577 - 2.500 |
| R-factor | 0.2404 |
| Rwork | 0.238 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qq3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.809 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3247: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.590 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.057 | 0.157 |
| Number of reflections | 23996 | 23996 |
| <I/σ(I)> | 26.535 | 12.486 |
| Completeness [%] | 96.8 | 96.8 |
| Redundancy | 6 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.05 M Calcium Chloride dihydrate, 0.1 M Bis-Tris pH 6.5, 30% v/v Polyethylene Glycol Monomethyl ether 550 |
