3MRN
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS4b-1807-1816 decapeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-25 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93300 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 97.943, 37.935, 119.858 |
Unit cell angles | 90.00, 90.89, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.300 |
R-factor | 0.222 |
Rwork | 0.214 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gso |
RMSD bond length | 0.009 |
RMSD bond angle | 1.172 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0044) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.380 | |
High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
Rmerge | 0.123 | 0.047 | 0.368 |
Number of reflections | 17510 | 317 | 1242 |
<I/σ(I)> | 7.54 | 14.2 | 2.8 |
Completeness [%] | 87.3 | 82.1 | 63.7 |
Redundancy | 3.81 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 18% PEG 6000, 0.1M NaCitrate, 0.1M NaCl, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |