3X13
Crystal structure of HLA-B*0801.N80I
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 | 2012-06-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9546 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.650, 81.008, 107.033 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.860 - 1.800 |
| R-factor | 0.1721 |
| Rwork | 0.170 |
| R-free | 0.20680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m05 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.346 |
| Number of reflections | 40745 | |
| <I/σ(I)> | 13.6 | 5.4 |
| Completeness [%] | 98.3 | 97.3 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 298 | 12-20% PEG4000, 0.2M ammonium acetate, 0.1M tri-sodium citrate pH 5.4., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
