3WL3
N,N'-diacetylchitobiose deacetylase from Pyrococcus horikoshii
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 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 77.561, 77.561, 229.114 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.240 - 2.000 |
R-factor | 0.22309 |
Rwork | 0.220 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | N N'-diacetylchitobiose deacetylase from Pyrococcus furiosus |
RMSD bond length | 0.020 |
RMSD bond angle | 1.878 |
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 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 53336 | |
Completeness [%] | 97.1 | 99.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.1 | 293 | 0.4 M ammonium phosphate, pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 293K |