8YFP

Chito oligosaccharide deacetylase from vibrio campbellii (VhCOD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-18
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.9997
Spacegroup name	I 21 3
Unit cell lengths	209.061, 209.061, 209.061
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.930 - 2.450
R-factor	0.1964
Rwork	0.195
R-free	0.21880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.899
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.933	6.750
High resolution limit [Å]	2.450	2.800
Rmerge	0.203	2.041
Rmeas	0.208	0.848
Rpim	0.045	0.182
Number of reflections	55208	37317
<I/σ(I)>	19
Completeness [%]	99.0
Redundancy	20
CC(1/2)	0.971	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	292	0.06M Divalent (0.3M Magnesium chloride hexahydrate, 0.3M Calcium chloride), 0.1M buffer system2 (1M Sodium HEPES, MOPS (acid) pH 7.5, 35% precipitant mix 4 (25% v/v MPD, 25% PEG 100, 25% w/v PEG 3350)