3RQ3
Structure of T-cell immunoreceptor with immunoglobulin and ITIM domains (TIGIT) in hexagonal crystal form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 118.614, 118.614, 98.197 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.820 - 2.700 |
R-factor | 0.2082 |
Rwork | 0.206 |
R-free | 0.25310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3q0h |
RMSD bond length | 0.019 |
RMSD bond angle | 1.852 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.800 | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 7.320 | 2.700 |
Rmerge | 0.085 | 0.037 | |
Number of reflections | 11650 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 100.0 | 99.3 | 100 |
Redundancy | 13.7 | 12.1 | 13.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 1.0M Ammonium Sulfate, 0.1M BIS-TRIS pH 5.5, 1% PEG3350, Vapor diffusion, Sitting drop, temperature 298K |