4U6X
Crystal Structure of HLA-A*0201 in complex with ALQDA, 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 210 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.043, 79.063, 54.903 |
| Unit cell angles | 90.00, 111.11, 90.00 |
Refinement procedure
| Resolution | 39.532 - 1.680 |
| R-factor | 0.1653 |
| Rwork | 0.163 |
| R-free | 0.20160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.085 |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.1_1168)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.218 | 47.617 | 1.770 |
| High resolution limit [Å] | 1.680 | 5.310 | 1.680 |
| Rmerge | 0.026 | 0.695 | |
| Rmeas | 0.076 | ||
| Rpim | 0.031 | 0.012 | 0.318 |
| Total number of observations | 262331 | 8168 | 37152 |
| Number of reflections | 46457 | ||
| <I/σ(I)> | 17.7 | 51.5 | 2.6 |
| Completeness [%] | 99.7 | 99.8 | 98.5 |
| Redundancy | 5.6 | 5.3 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 277 | 18-22.5% PEG 3350, Hepes pH 7.5, 0.1M MgCl2 |
