3V5H
HLA-A2.1 KVAEIVHFL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.798, 87.604, 79.769 |
Unit cell angles | 90.00, 89.96, 90.00 |
Refinement procedure
Resolution | 16.430 - 1.630 |
R-factor | 0.1853 |
Rwork | 0.184 |
R-free | 0.21440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.630 | 4.420 | 1.630 |
Rmerge | 0.049 | 0.030 | 0.362 |
Number of reflections | 106085 | ||
<I/σ(I)> | 17.2 | ||
Completeness [%] | 98.5 | 97 | 79.4 |
Redundancy | 3.7 | 3.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 25 mM MES pH6.5, 12% PEG 8000, VAPOR DIFFUSION, HANGING DROP, temperature 293K |