3MRH
Crystal Structure of MHC class I HLA-A2 molecule complexed with HCV NS3-1073-1081 nonapeptide N3S variant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97626 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.978, 80.060, 57.057 |
Unit cell angles | 90.00, 113.72, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.400 |
R-factor | 0.217 |
Rwork | 0.222 |
R-free | 0.30800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mrg |
RMSD bond length | 0.010 |
RMSD bond angle | 1.272 |
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] | 50.000 | 2.480 | |
High resolution limit [Å] | 2.400 | 9.300 | 2.400 |
Rmerge | 0.094 | 0.039 | 0.528 |
Number of reflections | 17070 | 307 | 1574 |
<I/σ(I)> | 10.27 | 20.6 | 3 |
Completeness [%] | 99.3 | 95.3 | 99.1 |
Redundancy | 3.99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 9% PEG 6000, 0.1M NaCitrate, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |