3MRE
Crystal Structure of MHC class I HLA-A2 molecule complexed with EBV bmlf1-280-288 nonapeptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-3 |
Synchrotron site | ESRF |
Beamline | ID14-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-16 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.93100 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.550, 79.430, 55.580 |
Unit cell angles | 90.00, 112.29, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.100 |
R-factor | 0.181 |
Rwork | 0.181 |
R-free | 0.20400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gso |
RMSD bond length | 0.008 |
RMSD bond angle | 1.213 |
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 | 1.130 | |
High resolution limit [Å] | 1.100 | 4.920 | 1.100 |
Rmerge | 0.090 | 0.039 | 0.399 |
Number of reflections | 150866 | 1924 | 10414 |
<I/σ(I)> | 9.9 | 37 | 2.2 |
Completeness [%] | 90.0 | 98.4 | 80.3 |
Redundancy | 3.72 |
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, 5mg/ml protein conc., pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |