5SBV
CD44 PanDDA analysis group deposition -- The hyaluronan-binding domain of CD44 in complex with Z31721798
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 | 2021-05-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91808 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.950, 81.647, 32.097 |
| Unit cell angles | 90.00, 117.72, 90.00 |
Refinement procedure
| Resolution | 40.820 - 1.109 |
| R-factor | 0.1884 |
| Rwork | 0.187 |
| R-free | 0.20880 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2jcp |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (20-APR-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.820 | 40.820 | 1.170 |
| High resolution limit [Å] | 1.110 | 3.510 | 1.110 |
| Rmerge | 0.091 | 0.057 | 0.873 |
| Rmeas | 0.112 | 0.068 | 1.179 |
| Rpim | 0.063 | 0.038 | 0.787 |
| Total number of observations | 139311 | 5655 | 9618 |
| Number of reflections | 52393 | ||
| <I/σ(I)> | 5.8 | 18.5 | 0.7 |
| Completeness [%] | 94.1 | 99.1 | 76.5 |
| Redundancy | 2.7 | 3.2 | 1.6 |
| CC(1/2) | 0.994 | 0.990 | 0.400 |
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 |
