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 |