3MRR
Crystal Structure of MHC class I HLA-A2 molecule complexed with Human Prostaglandin Transporter decapeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-06-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9834 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.887, 81.041, 57.505 |
Unit cell angles | 90.00, 114.66, 90.00 |
Refinement procedure
Resolution | 14.890 - 1.600 |
R-factor | 0.194 |
Rwork | 0.192 |
R-free | 0.22400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mrp |
RMSD bond length | 0.009 |
RMSD bond angle | 1.196 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.700 | |
High resolution limit [Å] | 1.600 | 20.000 | 1.600 |
Rmerge | 0.032 | 0.033 | 0.408 |
Number of reflections | 55551 | 25 | 6972 |
<I/σ(I)> | 21.82 | 23.1 | 2.1 |
Completeness [%] | 93.7 | 75.8 | 71.3 |
Redundancy | 3.43 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 15% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 3mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |