4P8V
The crystal structures of YKL-39 in the presence of chitooligosaccharides (GlcNAc2) were solved to resolutions of 1.5 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 | 70.682, 70.682, 140.255 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.610 - 1.640 |
| R-factor | 0.17442 |
| Rwork | 0.173 |
| R-free | 0.20440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.418 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.610 | 1.560 |
| High resolution limit [Å] | 1.530 | 1.530 |
| Rmerge | 0.075 | 0.753 |
| Number of reflections | 50934 | |
| <I/σ(I)> | 26.3 | 2.8 |
| Completeness [%] | 99.3 | 99.3 |
| Redundancy | 11.5 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | PEG 3350, Lithium Sulfate, Bis Tris |
