6O4Z
Structure of HLA-A2:01 with peptide MM92
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 | 2018-11-20 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.134, 79.689, 57.442 |
Unit cell angles | 90.00, 116.27, 90.00 |
Refinement procedure
Resolution | 28.650 - 1.500 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.19310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5enw |
RMSD bond length | 0.005 |
RMSD bond angle | 1.260 |
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 | 1.530 |
High resolution limit [Å] | 1.500 | 3.700 | 1.500 |
Rmerge | 0.044 | 0.021 | 0.489 |
Rmeas | 0.052 | 0.025 | 0.589 |
Rpim | 0.027 | 0.013 | 0.322 |
Number of reflections | 70589 | 4796 | 4571 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 97.8 | 97.5 | 95.3 |
Redundancy | 3.6 | 3.4 | 3.2 |
CC(1/2) | 0.999 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295.15 | 30% PEG 4000, 0.1M TRIS-HCL PH 8.0, 0.2M LITHIUM SULFATE |