5OJV

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 2
Unit cell lengths	87.792, 158.242, 87.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.805 - 2.062
R-factor	0.1571
Rwork	0.155
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.009
RMSD bond angle	0.985
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]	48.805	2.130
High resolution limit [Å]	2.060	2.060
Rmerge	0.086	0.979
Rmeas	0.094	1.069
Rpim	0.037	0.423
Number of reflections	74395
<I/σ(I)>	12.1	1.5
Completeness [%]	98.0	89.3
Redundancy	6.4	6
CC(1/2)	0.998	0.715

Crystallization Conditions

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