4MRG
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 | 30.850, 81.580, 32.130 |
| Unit cell angles | 90.00, 117.93, 90.00 |
Refinement procedure
| Resolution | 40.800 - 1.690 |
| R-factor | 0.1627 |
| Rwork | 0.160 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jcp |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.563 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.800 | 1.730 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.039 | 0.197 |
| Number of reflections | 56490 | |
| <I/σ(I)> | 27.2 | 5.3 |
| Completeness [%] | 95.7 | 74.8 |
| Redundancy | 3.7 | 2.7 |
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 |
