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 |
