4PZ3
High-resolution crystal structure of the human CD44 hyaluronan binding domain complex with undefined peptides
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 | 2012-11-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 72.498, 60.288, 75.134 |
Unit cell angles | 90.00, 113.40, 90.00 |
Refinement procedure
Resolution | 44.670 - 1.083 |
R-factor | 0.1668 |
Rwork | 0.166 |
R-free | 0.17740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.511 |
Data scaling software | SCALA |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.676 | 1.086 |
High resolution limit [Å] | 1.083 | 1.083 |
Rmerge | 0.031 | 0.154 |
Number of reflections | 122395 | |
<I/σ(I)> | 21.2 | 5.4 |
Completeness [%] | 97.1 | 69.3 |
Redundancy | 3.1 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 6.5 | 277 | 30% PEG MME 5000, 100 mM MES, 200 mM (NH4)2SO4, 5%DMSO, pH 6.5, hanging drop, temperature 277K |