7SU1
Crystal structure of an acidic pH-selective Ipilimumab variant Ipi.106 in complex with CTLA-4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-28 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 1.0 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 109.660, 109.660, 297.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.520 - 2.530 |
R-factor | 0.2083 |
Rwork | 0.206 |
R-free | 0.25140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tru 4nm4 3osk |
RMSD bond length | 0.009 |
RMSD bond angle | 1.112 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.652 |
High resolution limit [Å] | 2.526 | 2.526 |
Rmerge | 0.101 | |
Rpim | 0.029 | 0.547 |
Number of reflections | 28083 | 1404 |
<I/σ(I)> | 15.9 | 1.5 |
Completeness [%] | 94.6 | |
Redundancy | 13.3 | |
CC(1/2) | 0.999 | 0.640 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M sodium citrate tribasic dehydrate, 22% PEG 3,350 |