4MRF
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 | 2012-11-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.805, 81.626, 32.358 |
| Unit cell angles | 90.00, 118.28, 90.00 |
Refinement procedure
| Resolution | 40.800 - 1.550 |
| R-factor | 0.1819 |
| Rwork | 0.180 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jcp |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.523 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.800 | 40.813 | 1.630 |
| High resolution limit [Å] | 1.550 | 4.900 | 1.550 |
| Rmerge | 0.031 | 0.024 | 0.085 |
| Total number of observations | 2156 | 7199 | |
| Number of reflections | 20192 | ||
| <I/σ(I)> | 22.1 | 25.8 | 8.8 |
| Completeness [%] | 98.8 | 98.8 | 95.5 |
| Redundancy | 3.2 | 3.2 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
