4NP2
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.970, 82.160, 32.040 |
| Unit cell angles | 90.00, 117.84, 90.00 |
Refinement procedure
| Resolution | 40.080 - 1.750 |
| R-factor | 0.1766 |
| Rwork | 0.174 |
| R-free | 0.21680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.469 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.080 | 1.790 | |
| High resolution limit [Å] | 1.750 | 7.800 | 1.740 |
| Rmerge | 0.072 | 0.038 | 0.374 |
| Number of reflections | 14170 | 165 | 960 |
| <I/σ(I)> | 11.6 | 24.35 | 3.28 |
| Completeness [%] | 97.5 | 98.2 | 89.1 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG MME 5000, MES, (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
