5HHQ
Crystal Structure of HLA-A*0201 in complex with M1-L3W
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 | 2015-07-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.651, 80.153, 57.608 |
| Unit cell angles | 90.00, 114.42, 90.00 |
Refinement procedure
| Resolution | 40.077 - 2.100 |
| R-factor | 0.1729 |
| Rwork | 0.170 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.046 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.850 | 48.850 | 2.210 |
| High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
| Rmerge | 0.217 | 0.059 | 1.364 |
| Rmeas | 0.233 | ||
| Rpim | 0.084 | 0.025 | 0.023 |
| Total number of observations | 196977 | 6360 | 28599 |
| Number of reflections | 26019 | ||
| <I/σ(I)> | 11.7 | 27.3 | 3.6 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 7.6 | 7.4 | 7.6 |
| CC(1/2) | 0.993 | 0.997 | 0.668 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 18-22% PEG 3350, Na citrate pH 6.5, 0.1M MgCl2 |
