3BHB
Crystal Structure of KMD Phosphopeptide Bound to Human Class I MHC HLA-A2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-04 |
Detector | SATURN |
Wavelength(s) | 1.5417 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 57.100, 80.200, 57.300 |
Unit cell angles | 90.00, 115.90, 90.00 |
Refinement procedure
Resolution | 19.500 - 2.200 |
Rwork | 0.226 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.570 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 | |
High resolution limit [Å] | 2.200 | 10.000 | 2.200 |
Rmerge | 0.116 | 0.034 | 0.333 |
Number of reflections | 22776 | 230 | 2230 |
<I/σ(I)> | 16.55 | 44.4 | 4.8 |
Completeness [%] | 95.8 | 86.1 | 75.6 |
Redundancy | 10.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 24% POLYACRYLIC ACID, 0.1M HEPES, 0.09M MgCl2, pH 7.5, VAPOR DIFFUSION, hanging drop, temperature 298K |