6O51
Structure of HLA-A2:01 with peptide MM90
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.260, 79.467, 57.251 |
Unit cell angles | 90.00, 115.96, 90.00 |
Refinement procedure
Resolution | 31.470 - 1.550 |
R-factor | 0.1939 |
Rwork | 0.192 |
R-free | 0.22460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5enw |
RMSD bond length | 0.006 |
RMSD bond angle | 1.283 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.590 |
High resolution limit [Å] | 1.550 | 3.820 | 1.550 |
Rmerge | 0.047 | 0.031 | 0.368 |
Rmeas | 0.056 | 0.037 | 0.457 |
Rpim | 0.030 | 0.020 | 0.265 |
Number of reflections | 63926 | 4417 | 3897 |
<I/σ(I)> | 8.8 | ||
Completeness [%] | 97.0 | 98.4 | 88.9 |
Redundancy | 3.3 | 3.4 | 2.6 |
CC(1/2) | 0.997 | 0.837 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295.15 | 30% PEG 4000, 0.1M TRIS-HCL PH 8.5, 0.2M LITHIUM SULFATE |