4GRM
The crystal structure of the high affinity TCR A6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-21 |
Detector | CUSTOM-MADE |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.491, 51.969, 95.218 |
Unit cell angles | 90.00, 104.94, 90.00 |
Refinement procedure
Resolution | 18.840 - 2.000 |
R-factor | 0.23745 |
Rwork | 0.234 |
R-free | 0.29495 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.017 |
RMSD bond angle | 1.852 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.070 | 0.686 |
Number of reflections | 57468 | |
<I/σ(I)> | 24 | 2.12 |
Completeness [%] | 98.9 | 98.7 |
Redundancy | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 297 | 30% PEG, 0.1 M TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |