5SBP
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z1229798311
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 | 2021-03-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91199 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.776, 81.469, 31.991 |
Unit cell angles | 90.00, 117.89, 90.00 |
Refinement procedure
Resolution | 40.730 - 1.275 |
R-factor | 0.1716 |
Rwork | 0.170 |
R-free | 0.20450 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2jcp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
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] | 40.735 | 40.735 | 1.389 |
High resolution limit [Å] | 1.275 | 3.921 | 1.275 |
Rmeas | 0.125 | 0.096 | 0.527 |
Rpim | 0.069 | 0.052 | 0.358 |
Total number of observations | 72650 | 4017 | 2211 |
Number of reflections | 25144 | ||
<I/σ(I)> | 6.1 | 12.9 | 1.5 |
Completeness [%] | 84.1 | 98.7 | 42.6 |
Redundancy | 2.9 | 3.2 | 1.8 |
CC(1/2) | 0.994 | 0.991 | 0.741 |
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 |