3FT4
Crystal Structure of the minor histocompatibility peptide HA-1Arg in complex with HLA-A2
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 | 2006-12-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.87 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.510, 80.090, 54.790 |
Unit cell angles | 90.00, 111.15, 90.00 |
Refinement procedure
Resolution | 15.000 - 1.900 |
R-factor | 0.18162 |
Rwork | 0.180 |
R-free | 0.22359 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.055 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 32080 | |
<I/σ(I)> | 10.9 | 3.6 |
Completeness [%] | 97.8 | 94.5 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 12-15% w/v PEG 6000, 0.1 M NaCl and 0.1 M tri-sodium-citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |