5BZM
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 | 30.806, 81.516, 32.170 |
Unit cell angles | 90.00, 117.94, 90.00 |
Refinement procedure
Resolution | 40.758 - 1.250 |
R-factor | 0.2002 |
Rwork | 0.199 |
R-free | 0.22190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.483 |
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] | 40.758 | 40.758 | 1.254 |
High resolution limit [Å] | 1.250 | 5.797 | 1.250 |
Rmerge | 0.066 | 0.041 | 0.372 |
Total number of observations | 119038 | 1176 | 1088 |
Number of reflections | 36505 | ||
<I/σ(I)> | 11 | ||
Completeness [%] | 94.3 | 98.3 | 89.7 |
Redundancy | 3.3 | 2.9 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | PEG MME 5000, MES, (NH4)2SO4 |