5OIW

Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) D182A variant in complex with glucosylglycerate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-12
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.96600
Spacegroup name	P 21 21 2
Unit cell lengths	85.292, 159.606, 91.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.934 - 1.710
R-factor	0.1475
Rwork	0.146
R-free	0.16840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	1.025
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]	49.100	1.770
High resolution limit [Å]	1.710	1.710
Rmerge	0.070	1.081
Rmeas	0.077	1.183
Rpim	0.031	0.474
Number of reflections	133666
<I/σ(I)>	13.8	1.8
Completeness [%]	99.5	99
Redundancy	6	6.1
CC(1/2)	0.999	0.659

Crystallization Conditions

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