5ONT

Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase(MhGgH) E419A variant in complex with glucosylglycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 2
Unit cell lengths	86.898, 158.760, 87.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.313 - 2.050
R-factor	0.1563
Rwork	0.154
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	1.011
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.313	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.091	0.901
Rmeas	0.104	1.027
Rpim	0.049	0.488
Number of reflections	76309
<I/σ(I)>	9.4	1.6
Completeness [%]	99.4	100
Redundancy	4.2	4.4
CC(1/2)	0.997	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris-Bicine pH 8.5, amino acids, PEG 4000, glycerol