4Y2D
Crystal structure of the mCD1d/7DW8-5/iNKTCR ternary complex
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 | 2011-04-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 79.422, 150.264, 100.800 |
Unit cell angles | 90.00, 96.24, 90.00 |
Refinement procedure
Resolution | 49.410 - 3.050 |
R-factor | 0.2181 |
Rwork | 0.217 |
R-free | 0.25740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2Q7Y and 3QUZ |
RMSD bond length | 0.005 |
RMSD bond angle | 0.994 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.120 |
High resolution limit [Å] | 3.050 | 7.510 | 3.050 |
Rmerge | 0.093 | 0.031 | 0.536 |
Total number of observations | 135018 | ||
Number of reflections | 44418 | ||
<I/σ(I)> | 7.9 | ||
Completeness [%] | 99.3 | 96.1 | 99.8 |
Redundancy | 3 | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.5 | 17% PEG 4000, 8% tascimate pH 4.0 |