4U6Y
Crystal Structure of HLA-A*0201 in complex with FLNDK, a 15 mer self-peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.954 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.884, 79.766, 54.840 |
| Unit cell angles | 90.00, 111.75, 90.00 |
Refinement procedure
| Resolution | 29.438 - 1.467 |
| R-factor | 0.1505 |
| Rwork | 0.149 |
| R-free | 0.18920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.597 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 79.767 | 47.245 | 1.550 |
| High resolution limit [Å] | 1.467 | 4.640 | 1.467 |
| Rmerge | 0.015 | 0.541 | |
| Rmeas | 0.053 | ||
| Rpim | 0.030 | 0.010 | 0.396 |
| Total number of observations | 157882 | 4883 | 22415 |
| Number of reflections | 69549 | ||
| <I/σ(I)> | 15.9 | 57.3 | 2.2 |
| Completeness [%] | 87.2 | 79.5 | 86.9 |
| Redundancy | 2.6 | 2.7 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 277 | 18-225 PEG 3350, Hepes pH 7.5, 0.1M MgCl2 |
