6SHD

Structure of the GH76A alpha-1,6-mannanase from Salegentibacter sp. HEL1_6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	I 1 2 1
Unit cell lengths	187.261, 37.507, 187.457
Unit cell angles	90.00, 100.95, 90.00

Refinement procedure

Resolution	55.091 - 2.000
R-factor	0.1471
Rwork	0.146
R-free	0.20200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k7x
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.020	92.020	2.040
High resolution limit [Å]	2.000	10.770	2.000
Rmerge	0.100	0.058	0.845
Rmeas	0.108	0.064	0.915
Rpim	0.042	0.027	0.346
Total number of observations	574248	3363	30691
Number of reflections	87258	630	4422
<I/σ(I)>	11.3	24.6	2.6
Completeness [%]	99.4	96.7	99.8
Redundancy	6.6	5.3	6.9
CC(1/2)	0.997	0.994	0.774

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	289	0.2 M Magnesium chloride hexahydrate 0.1 M Sodium acetate pH 5.0 20 % w/v PEG 6000