4XM0
N,N'-diacetylchitobiose deacetylase (SeMet derivative) from Pyrococcus furiosus in the absence 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 | 2014-11-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.006, 121.926, 92.271 |
| Unit cell angles | 90.00, 114.21, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.26659 |
| Rwork | 0.262 |
| R-free | 0.34582 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.410 |
| 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 | 2.850 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.367 | |
| Number of reflections | 40647 | |
| <I/σ(I)> | 15 | 4.9 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 6.8 | 6.2 |
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, 8% acetone |
