7R7X
Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-10-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.540, 82.577, 157.303 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.936 - 2.099 |
R-factor | 0.1852 |
Rwork | 0.183 |
R-free | 0.21940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a1m |
RMSD bond length | 0.004 |
RMSD bond angle | 0.658 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.000 | 4.520 | 2.100 |
Rmerge | 0.100 | 0.035 | 0.676 |
Rmeas | 0.109 | 0.039 | 0.740 |
Rpim | 0.043 | 0.015 | 0.294 |
Number of reflections | 53731 | 5665 | 5285 |
<I/σ(I)> | 6.1 | ||
Completeness [%] | 99.9 | 99.5 | 99.3 |
Redundancy | 6.3 | 6.1 | 6 |
CC(1/2) | 0.999 | 0.821 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 15-20% w/v PEG4000, 20% w/v 2-propanol, 0.1 M MES, pH 6.5 |