5SBN
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z57040482
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91199 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.782, 81.310, 31.914 |
Unit cell angles | 90.00, 117.78, 90.00 |
Refinement procedure
Resolution | 40.660 - 1.181 |
R-factor | 0.1674 |
Rwork | 0.166 |
R-free | 0.19500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2jcp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.170 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | REFMAC |
Refinement software | BUSTER (2.10.4 (20-APR-2021)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.655 | 40.655 | 1.292 |
High resolution limit [Å] | 1.181 | 3.586 | 1.181 |
Rmeas | 0.108 | 0.080 | 0.514 |
Rpim | 0.060 | 0.044 | 0.356 |
Total number of observations | 92111 | 5031 | 2700 |
Number of reflections | 31875 | ||
<I/σ(I)> | 6.9 | 14.7 | 1.6 |
Completeness [%] | 83.3 | 96.5 | 31.7 |
Redundancy | 2.9 | 3.2 | 1.7 |
CC(1/2) | 0.996 | 0.994 | 0.738 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 200mM ammonium sulphate, 100mM MES, 24% PEG 5,000 MME |