3O3B
Human Class I MHC HLA-A2 in complex with the Peptidomimetic ELA-1.1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-25 |
Detector | MAR scanner 300 mm plate |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.125, 84.254, 83.946 |
Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.1891 |
Rwork | 0.186 |
R-free | 0.23810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gt9 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.843 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.141 | 0.066 | 0.497 |
Number of reflections | 61720 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 96.9 | 99.6 | 81.6 |
Redundancy | 3.6 | 3.6 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | PEG3350 24%, MES 0.025M, KCl 0.1M, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |