3WL4
N,N'-diacetylchitobiose deacetylase (Se-derivative) from Pyrococcus furiosus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.99522, 0.97910, 0.97949 |
| Spacegroup name | H 3 |
| Unit cell lengths | 113.894, 113.894, 201.029 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.400 - 1.540 |
| R-factor | 0.15439 |
| Rwork | 0.154 |
| R-free | 0.16888 |
| Structure solution method | MAD |
| RMSD bond length | 0.040 |
| RMSD bond angle | 3.254 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.570 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Number of reflections | 143526 | |
| Completeness [%] | 99.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Tris-HCl (pH 8.0), 0.2M MgCl2, 3.4M 1,6-hexanediol, 5mM CdCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
