3X11
Crystal structure of HLA-B*57:01.I80N.L82R.R83G
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 | 50.446, 81.097, 108.547 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.000 - 2.150 |
R-factor | 0.1902 |
Rwork | 0.188 |
R-free | 0.23090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2rfx |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
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] | 45.100 | 2.230 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.150 | 0.810 |
Number of reflections | 25262 | |
<I/σ(I)> | 12.1 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.6 | 9.7 |
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 |