6Y8K
Crystal structure of CD137 in complex with the cyclic peptide BCY10916
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-28 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 42 3 2 |
Unit cell lengths | 122.470, 122.470, 122.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.857 - 2.011 |
Rwork | 0.283 |
R-free | 0.31400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6mi2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.798 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.857 | 2.050 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.042 | 2.216 |
Rmeas | 0.043 | 2.244 |
Number of reflections | 21496 | 1053 |
<I/σ(I)> | 45.7 | |
Completeness [%] | 100.0 | |
Redundancy | 39.1 | |
CC(1/2) | 1.000 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 293.15 | 1.5 M lithium sulfate monohydrate, 0.1M sodium acetate trihydrate, pH 4.6 |