6DMS

Endo-fucoidan hydrolase MfFcnA4_H294Q from glycoside hydrolase family 107

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-11
Detector	DECTRIS PILATUS3 R 200K-A
Wavelength(s)	1.54178
Spacegroup name	P 31 2 1
Unit cell lengths	156.527, 156.527, 84.409
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.581 - 2.850
R-factor	0.2592
Rwork	0.258
R-free	0.29330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.126
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.581	30.000	2.900
High resolution limit [Å]	2.850	7.690	2.850
Rmerge	0.089	0.046	0.712
Rmeas	0.097	0.051	0.775
Rpim	0.038	0.021	0.304
Number of reflections	27694	1484	1300
<I/σ(I)>	8.4
Completeness [%]	98.5	99.4	93.5
Redundancy	6.3	5.3	6.4
CC(1/2)		0.997	0.946

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M NaCl, 1.4 M (NH4)2SO4, sodium acetate:acetic acid, (pH 4.5)