4NP2
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 | 2013-04-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 30.970, 82.160, 32.040 |
Unit cell angles | 90.00, 117.84, 90.00 |
Refinement procedure
Resolution | 40.080 - 1.750 |
R-factor | 0.1766 |
Rwork | 0.174 |
R-free | 0.21680 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.469 |
Data reduction software | XDS |
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] | 40.080 | 1.790 | |
High resolution limit [Å] | 1.750 | 7.800 | 1.740 |
Rmerge | 0.072 | 0.038 | 0.374 |
Number of reflections | 14170 | 165 | 960 |
<I/σ(I)> | 11.6 | 24.35 | 3.28 |
Completeness [%] | 97.5 | 98.2 | 89.1 |
Redundancy | 3.2 |
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 |