4MRD
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 | 2013-01-29 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.620, 82.280, 32.520 |
| Unit cell angles | 90.00, 117.92, 90.00 |
Refinement procedure
| Resolution | 41.140 - 2.550 |
| R-factor | 0.19029 |
| Rwork | 0.187 |
| R-free | 0.24496 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.372 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.140 | 2.610 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.123 | 0.391 |
| Number of reflections | 17738 | |
| <I/σ(I)> | 11.1 | 3.4 |
| Completeness [%] | 98.7 | 94.6 |
| Redundancy | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 30% PEG MME 5000, 100 mM MES, 200mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
