4NP3
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 | 2013-07-10 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.000, 82.000, 32.000 |
| Unit cell angles | 90.00, 118.00, 90.00 |
Refinement procedure
| Resolution | 41.000 - 1.610 |
| R-factor | 0.1795 |
| Rwork | 0.177 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.495 |
| Data reduction software | d*TREK (9.9.9.4L) |
| Data scaling software | d*TREK (9.9.9.4L) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.000 | 40.920 | 1.670 |
| High resolution limit [Å] | 1.610 | 3.470 | 1.610 |
| Rmerge | 0.069 | 0.046 | 0.269 |
| Total number of observations | 7094 | 6581 | |
| Number of reflections | 18267 | ||
| <I/σ(I)> | 11.2 | 27.4 | 4.3 |
| Completeness [%] | 99.7 | 99.7 | 100 |
| Redundancy | 3.76 | 3.79 | 3.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG MME 5000, MES, (NH4)2SO4, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
