5B2E
N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii complexed with its inhibitor MPG (acetate-containing condition)
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 | 2015-11-10 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 77.435, 77.435, 229.573 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 37.890 - 1.800 |
| R-factor | 0.18611 |
| Rwork | 0.184 |
| R-free | 0.22071 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.121 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.073 | 0.416 |
| Number of reflections | 74457 | |
| <I/σ(I)> | 14.8 | 5.1 |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 7.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 100 mM sodium acetate buffer, 10 mM CoCl2, 1 M 1,6-hexanediol |
