4NO3
Crystal structure of AMPD2 phosphopeptide bound to HLA-A2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-30 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5417 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.000, 55.200, 75.100 |
Unit cell angles | 90.00, 104.90, 90.00 |
Refinement procedure
Resolution | 20.052 - 1.703 |
R-factor | 0.2091 |
Rwork | 0.208 |
R-free | 0.23180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bh9 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.111 |
Data scaling software | d*TREK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.052 | 20.052 | 1.900 |
High resolution limit [Å] | 1.703 | 10.000 | 1.703 |
Rmerge | 0.034 | 0.024 | 0.328 |
Number of reflections | 46573 | 236 | 10750 |
<I/σ(I)> | 33.95 | 91.13 | 4.68 |
Completeness [%] | 91.9 | 84.9 | 75.4 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 12% PEG3350, 8% tacsimate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |