5TRU
Structure of the first-in-class checkpoint inhibitor Ipilimumab bound to human CTLA-4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 95.844, 197.502, 148.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.910 - 3.000 |
R-factor | 0.2067 |
Rwork | 0.203 |
R-free | 0.26770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1i85 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.461 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 34.910 | 50.000 | 3.050 |
High resolution limit [Å] | 3.000 | 8.130 | 3.000 |
Rmerge | 0.143 | 0.058 | 0.820 |
Total number of observations | 181876 | ||
Number of reflections | 28514 | ||
<I/σ(I)> | 6.1 | ||
Completeness [%] | 99.7 | 97.6 | 99.9 |
Redundancy | 6.4 | 5.7 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 291 | 0.1M ammonium sulfate, 0.1M Tris pH 7.5, 20% PEG 1500 |