7X1C
Crystal structure of peptide VSFIEFVI in complex with HLA-B5801
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE TPS 05A |
Synchrotron site | NSRRC |
Beamline | TPS 05A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-11-21 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.721, 82.163, 110.081 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.081 - 1.409 |
R-factor | 0.1514 |
Rwork | 0.150 |
R-free | 0.18030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7x00 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.060 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.081 | 1.460 |
High resolution limit [Å] | 1.409 | 1.409 |
Number of reflections | 89411 | 8755 |
<I/σ(I)> | 17.65 | |
Completeness [%] | 99.9 | |
Redundancy | 7.2 | |
CC(1/2) | 0.999 | 0.599 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 293 | 0.04 M Citric acid, 0.06 M BIS-TRIS propane, 20% w/v Polyethylene glycol 3350 |