6JP3
Crystal structure of peptide in complex with HLA-A1101.
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 | 2017-03-09 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.502, 90.525, 91.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.260 - 1.660 |
R-factor | 0.16702 |
Rwork | 0.166 |
R-free | 0.19421 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x7q |
RMSD bond length | 0.026 |
RMSD bond angle | 2.296 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.270 | 1.703 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmeas | 0.070 | 0.858 |
Number of reflections | 64100 | |
<I/σ(I)> | 2.4 | |
Completeness [%] | 99.0 | |
Redundancy | 7.2 | |
CC(1/2) | 0.951 | 0.824 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 289 | 0.2M Sodium malonate, 20% PEG 3350 |