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