5BZF
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 | CCD |
| Collection date | 2012-12-16 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.987, 81.744, 32.236 |
| Unit cell angles | 90.00, 118.20, 90.00 |
Refinement procedure
| Resolution | 11.880 - 2.770 |
| R-factor | 0.206 |
| Rwork | 0.202 |
| R-free | 0.29280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.262 |
| 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] | 11.880 | 2.730 | |
| High resolution limit [Å] | 2.660 | 11.880 | 2.660 |
| Rmerge | 0.077 | 0.020 | 0.194 |
| Rmeas | 0.094 | 0.026 | 0.257 |
| Total number of observations | 11169 | ||
| Number of reflections | 3766 | 45 | 198 |
| <I/σ(I)> | 18.34 | 46.74 | 4.87 |
| Completeness [%] | 91.6 | 86.5 | 65.1 |
| Redundancy | 2.966 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG MME 5000, MES, (NH4)2SO4 |
