3MRF
Crystal Structure of MHC class I HLA-A2 molecule complexed with EBV bmlf1-280-288 nonapeptide T4P variant
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 | 2006-07-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93300 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.622, 79.392, 55.661 |
Unit cell angles | 90.00, 112.02, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.300 |
R-factor | 0.189 |
Rwork | 0.186 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mre |
RMSD bond length | 0.009 |
RMSD bond angle | 1.142 |
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 | 2.380 | |
High resolution limit [Å] | 2.300 | 8.910 | 2.300 |
Rmerge | 0.110 | 0.029 | 0.401 |
Number of reflections | 18522 | 315 | 1763 |
<I/σ(I)> | 11.8 | 32.5 | 3.6 |
Completeness [%] | 99.3 | 92.9 | 97.6 |
Redundancy | 3.74 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 12% PEG 6000, 0.1M NaCacodylate, 0.1M NaCl, 7.5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |