5NMD
868 TCR Specific for HLA A02 presenting HIV Epitope SLYNTVATL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-05-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9778 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 87.470, 50.620, 114.310 |
Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
Resolution | 43.810 - 2.070 |
R-factor | 0.19039 |
Rwork | 0.189 |
R-free | 0.22319 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bnu |
RMSD bond length | 0.019 |
RMSD bond angle | 1.970 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.810 | 2.130 |
High resolution limit [Å] | 2.070 | 2.070 |
Rmerge | 0.050 | 0.723 |
Number of reflections | 60507 | 4492 |
<I/σ(I)> | 12.1 | 2.3 |
Completeness [%] | 98.6 | 99.6 |
Redundancy | 3.5 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Sodium Cacodylate, pH 6.5, 20% PEG 8000 |