4NDM
Structure of the AB18.1 TCR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-04-02 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03320 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 110.078, 142.213, 77.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.539 - 3.006 |
R-factor | 0.2441 |
Rwork | 0.242 |
R-free | 0.27970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3OMZ and 2EYR |
RMSD bond length | 0.002 |
RMSD bond angle | 0.631 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 3.000 |
Number of reflections | 12399 | |
<I/σ(I)> | 2.94 | |
Completeness [%] | 99.6 | 98.3 |
Redundancy | 6 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 20% PEG3350, 0.2 M trisodium citrate, 2% Ethylene Glycol, VAPOR DIFFUSION, SITTING DROP, temperature 292K |