4P8W
The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc4) were solved to resolutions of 1.9 angstrom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2012-06-05 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 71.354, 71.354, 140.528 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 1.870 |
R-factor | 0.18801 |
Rwork | 0.186 |
R-free | 0.23595 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.372 |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.800 | 1.900 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.194 | |
Number of reflections | 26230 | |
<I/σ(I)> | 45.1 | 2.8 |
Completeness [%] | 99.0 | 87.8 |
Redundancy | 7.4 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | PEG 3350, Lithium sulfate, Bis Tris |