5HHP
Crystal Structure of HLA-A*0201 in complex with M1-G4E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-18 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.500, 80.428, 57.229 |
| Unit cell angles | 90.00, 113.81, 90.00 |
Refinement procedure
| Resolution | 46.267 - 1.900 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gso |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.043 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.950 | 48.950 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.182 | 0.061 | 1.238 |
| Rmeas | 0.196 | ||
| Rpim | 0.071 | 0.025 | 0.024 |
| Total number of observations | 265021 | 8658 | 38181 |
| Number of reflections | 35010 | ||
| <I/σ(I)> | 9.4 | 22.8 | 2.6 |
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 7.6 | 7.5 | 7.6 |
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 |
