2P1Y
1.B2.D9, a bispecific alpha/beta TCR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.681, 105.477, 81.531 |
Unit cell angles | 90.00, 116.04, 90.00 |
Refinement procedure
Resolution | 40.390 - 2.420 |
R-factor | 0.18508 |
Rwork | 0.181 |
R-free | 0.25363 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u3h |
RMSD bond length | 0.033 |
RMSD bond angle | 2.529 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.400 | 2.510 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.041 | 0.196 |
Number of reflections | 41336 | |
<I/σ(I)> | 24 | 6.29 |
Completeness [%] | 99.1 | 96.4 |
Redundancy | 4.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277.15 | 12% w/w PEG 6000, 100 mM HEPES, 3% v/v MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |