5OJU

Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) E419A 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)	0.96599
Spacegroup name	P 21 21 2
Unit cell lengths	86.097, 159.073, 88.406
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.472 - 2.170
R-factor	0.158
Rwork	0.156
R-free	0.19850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.009
RMSD bond angle	1.005
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]	48.741	2.250
High resolution limit [Å]	2.170	2.170
Rmerge	0.091	0.790
Rmeas	0.102	0.897
Rpim	0.047	0.417
Number of reflections	64817
<I/σ(I)>	11.3	1.8
Completeness [%]	99.8	99.5
Redundancy	4.6	4.5
CC(1/2)	0.998	0.642

Crystallization Conditions

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