7R7W
Crystal structure of HLA-B*5301 complex with an HIV-1 Gag-derived epitope QW9 S3T variant
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 | 2020-06-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.659, 82.421, 110.395 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.600 - 1.170 |
R-factor | 0.1335 |
Rwork | 0.132 |
R-free | 0.15750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a1m |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.190 |
High resolution limit [Å] | 1.170 | 3.420 | 1.170 |
Rmerge | 0.063 | 0.038 | 0.936 |
Rmeas | 0.071 | 0.043 | 1.063 |
Rpim | 0.031 | 0.019 | 0.493 |
Total number of observations | 762868 | ||
Number of reflections | 151918 | 6387 | 5899 |
<I/σ(I)> | 6.9 | ||
Completeness [%] | 97.6 | 96.1 | 95.6 |
Redundancy | 5 | 5 | 4.2 |
CC(1/2) | 0.998 | 0.561 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | 30% w/v PEG8000, 0.2 M sodium acetate, 0.1 M sodium cacodylate trihydrate, pH 6.5 |