4P8X
The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc6) were solved to resolutions of 2.48 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 | 71.207, 71.207, 141.023 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.800 - 2.480 |
| R-factor | 0.18953 |
| Rwork | 0.187 |
| R-free | 0.23471 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.513 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.800 | 2.540 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.150 | 0.350 |
| Number of reflections | 12681 | |
| <I/σ(I)> | 11 | 3.1 |
| Completeness [%] | 99.6 | 94.6 |
| Redundancy | 6.8 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | PEG 3350, Lithium sulfate, Bis Tris |
