7L1B
Crystal structure of HLA-A*03:01 in complex with a wild-type PIK3CA peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 6 2 2 |
Unit cell lengths | 156.592, 156.592, 86.213 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.200 - 2.040 |
R-factor | 0.1961 |
Rwork | 0.195 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xpg |
RMSD bond length | 0.002 |
RMSD bond angle | 0.457 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.090 |
High resolution limit [Å] | 2.040 | 2.050 |
Rmerge | 0.110 | 0.598 |
Rmeas | 0.113 | 0.620 |
Rpim | 0.026 | 0.156 |
Number of reflections | 39401 | 1745 |
<I/σ(I)> | 33.7 | |
Completeness [%] | 98.7 | |
Redundancy | 17.5 | |
CC(1/2) | 0.998 | 0.949 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 10.00 % w/v Polyethylene glycol 8,000, 200 mM Calcium acetate, 100 mM HEPES; pH 7.5 |