4XLZ
N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the presence of cadmium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL38B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL38B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.99522 |
| Spacegroup name | P 1 |
| Unit cell lengths | 93.895, 93.880, 93.877 |
| Unit cell angles | 74.69, 74.68, 74.68 |
Refinement procedure
| Resolution | 31.160 - 1.510 |
| R-factor | 0.1526 |
| Rwork | 0.152 |
| R-free | 0.16714 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wl4 |
| RMSD bond length | 0.035 |
| RMSD bond angle | 2.911 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.510 |
| Number of reflections | 435340 |
| <I/σ(I)> | 15.8 |
| Completeness [%] | 95.2 |
| Redundancy | 1.9 |
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, 3.0M 1,6-hexanediol, 5mM CdCl2 |
