5SC6
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with POB0019
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 | 2021-07-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91808 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.994, 82.335, 32.362 |
| Unit cell angles | 90.00, 117.85, 90.00 |
Refinement procedure
| Resolution | 41.170 - 1.327 |
| R-factor | 0.1966 |
| Rwork | 0.195 |
| R-free | 0.23830 |
| 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 (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (20-APR-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.170 | 41.170 | 1.400 |
| High resolution limit [Å] | 1.330 | 4.200 | 1.330 |
| Rmerge | 0.156 | 0.128 | 1.182 |
| Rmeas | 0.185 | 0.150 | 1.454 |
| Rpim | 0.099 | 0.078 | 0.832 |
| Total number of observations | 96449 | 3842 | 6449 |
| Number of reflections | 29050 | ||
| <I/σ(I)> | 4.4 | 8.9 | 0.8 |
| Completeness [%] | 87.7 | 99.5 | 50.3 |
| Redundancy | 3.3 | 3.6 | 2.7 |
| CC(1/2) | 0.980 | 0.977 | 0.376 |
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 |
