4XM2
N,N'-diacetylchitobiose deacetylase from Pyrococcus furiosus in the absence 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 | 2013-11-20 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.634, 121.825, 92.133 |
| Unit cell angles | 90.00, 113.88, 90.00 |
Refinement procedure
| Resolution | 46.570 - 2.300 |
| R-factor | 0.21232 |
| Rwork | 0.209 |
| R-free | 0.27647 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.705 |
| 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 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.403 | |
| Number of reflections | 72889 | |
| <I/σ(I)> | 12.5 | 3.8 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 5.2 | 4.4 |
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, 8% acetone |
