4XM1
N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus in the presence of cadmium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-24 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.353, 77.847, 93.511 |
| Unit cell angles | 66.39, 84.70, 61.95 |
Refinement procedure
| Resolution | 41.130 - 1.800 |
| R-factor | 0.24076 |
| Rwork | 0.238 |
| R-free | 0.29020 |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.907 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.399 | |
| Number of reflections | 152603 | |
| <I/σ(I)> | 10.4 | 2.6 |
| Completeness [%] | 97.7 | 95.8 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M Tris-HCl (pH 8.0), 0.2M MgCl2, 3.2M 1,6-hexanediol, 5mM CdCl2 |
