5BZH
Crystal structure of the murine CD44 hyaluronan binding domain complex with a small molecule
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-12 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 30.850, 81.720, 32.120 |
| Unit cell angles | 90.00, 117.97, 90.00 |
Refinement procedure
| Resolution | 8.720 - 1.950 |
| R-factor | 0.1732 |
| Rwork | 0.170 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.377 |
| 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] | 8.720 | 2.000 | |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.017 | 0.013 | 0.033 |
| Rmeas | 0.020 | 0.016 | 0.040 |
| Total number of observations | 37452 | ||
| Number of reflections | 9978 | 114 | 722 |
| <I/σ(I)> | 56.83 | 89.38 | 33.96 |
| Completeness [%] | 96.3 | 91.2 | 93.5 |
| Redundancy | 3.753 |
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 |
