5NHT
human 199.54-16 TCR in complex with Melan-A/MART-1 (26-35) peptide and HLA-A2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2015-02-13 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979742 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 222.077, 49.284, 96.133 |
Unit cell angles | 90.00, 97.61, 90.00 |
Refinement procedure
Resolution | 16.000 - 3.200 |
R-factor | 0.21735 |
Rwork | 0.213 |
R-free | 0.29874 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1oga 3qdj |
RMSD bond length | 0.009 |
RMSD bond angle | 1.352 |
Data reduction software | XDS (VERSION March 1, 2015) |
Data scaling software | XSCALE (VERSION March 1, 2015 BUILT=20150215) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 16.000 | 3.290 |
High resolution limit [Å] | 3.200 | 3.200 |
Number of reflections | 17189 | 1282 |
<I/σ(I)> | 4.79 | 1.26 |
Completeness [%] | 98.5 | 98.8 |
Redundancy | 3.66 | 3.7 |
CC(1/2) | 0.990 | 0.860 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG3350 8 %, K Thiocyanate 0.1 M, Bis-Tris propane pH 6.5 0.1 M, protein concentration 3.5 mg/ml |