8BGN
N,N-diacetylchitobiose deacetylase from Pyrococcus chitonophagus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9797 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 150.613, 150.613, 72.228 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.300 - 2.760 |
R-factor | 0.1784 |
Rwork | 0.176 |
R-free | 0.22710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xm0 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.515 |
Data reduction software | XDS (5.8.0253) |
Data scaling software | XSCALE (3.27) |
Phasing software | PHASER |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.300 | 2.860 |
High resolution limit [Å] | 2.760 | 2.760 |
Rmerge | 0.114 | 0.966 |
Number of reflections | 24234 | 2190 |
<I/σ(I)> | 18.4 | 2.4 |
Completeness [%] | 99.1 | |
Redundancy | 19.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 308 | 0.1M HEPES, pH7.5, 2% v/v PEG 400, 2.0M ammonium sulfate |