5BZC
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 | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| 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 | 30.970, 81.940, 32.060 |
| Unit cell angles | 90.00, 117.91, 90.00 |
Refinement procedure
| Resolution | 40.970 - 1.950 |
| R-factor | 0.1841 |
| Rwork | 0.182 |
| R-free | 0.23170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.466 |
| 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] | 40.970 | 1.990 | |
| High resolution limit [Å] | 1.940 | 8.680 | 1.940 |
| Rmerge | 0.098 | 0.024 | 0.382 |
| Rmeas | 0.114 | 0.029 | 0.448 |
| Total number of observations | 39128 | ||
| Number of reflections | 10233 | 122 | 673 |
| <I/σ(I)> | 14.37 | 41.97 | 3.43 |
| Completeness [%] | 97.0 | 96.1 | 88.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG MME 5000, MES, (NH4)2SO4 |
