5BZI
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 | 2013-12-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.095, 81.781, 32.193 |
| Unit cell angles | 90.00, 118.38, 90.00 |
Refinement procedure
| Resolution | 28.324 - 1.320 |
| R-factor | 0.1761 |
| Rwork | 0.175 |
| R-free | 0.20170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.466 |
| Data scaling software | SCALA |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.324 | 28.324 | 1.325 |
| High resolution limit [Å] | 1.320 | 6.107 | 1.320 |
| Rmerge | 0.062 | 0.045 | 0.379 |
| Total number of observations | 108804 | 1201 | 969 |
| Number of reflections | 31804 | ||
| <I/σ(I)> | 14.6 | ||
| Completeness [%] | 95.8 | 99.1 | 92.2 |
| Redundancy | 3.4 | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG MME 5000, MES, (NH4)2SO4 |
