6UJ8
Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979321 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.690, 70.480, 88.146 |
Unit cell angles | 90.00, 107.65, 90.00 |
Refinement procedure
Resolution | 47.580 - 2.250 |
R-factor | 0.2179 |
Rwork | 0.216 |
R-free | 0.25990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6uj7 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.532 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.580 | 47.580 | 2.310 |
High resolution limit [Å] | 2.250 | 10.060 | 2.250 |
Rmerge | 0.096 | 0.038 | 0.655 |
Rmeas | 0.107 | 0.043 | 0.735 |
Total number of observations | 191270 | ||
Number of reflections | 37664 | 452 | 2773 |
<I/σ(I)> | 10.44 | 25.79 | 2.13 |
Completeness [%] | 99.7 | 98.7 | 99.7 |
Redundancy | 5.078 | 4.962 | 4.66 |
CC(1/2) | 0.996 | 0.996 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 0.1 M MES pH 6.5, 0.2 M KI, 30% PEG4000 |