5OIV

Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) D43A variant in complex with serine and glycerol

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)	0.96598
Spacegroup name	P 21 21 2
Unit cell lengths	85.921, 159.126, 88.161
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.450 - 1.783
R-factor	0.1503
Rwork	0.149
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	1.009
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]	48.670	1.850
High resolution limit [Å]	1.780	1.780
Rmerge	0.057	0.824
Rmeas	0.066	0.954
Rpim	0.032	0.472
Number of reflections	114314
<I/σ(I)>	13	1.7
Completeness [%]	98.9	93.5
Redundancy	4	4
CC(1/2)	0.999	0.529

Crystallization Conditions

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