5OJ4

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

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	85.329, 159.632, 91.169
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.110 - 1.790
R-factor	0.1454
Rwork	0.144
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	0.986
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]	49.110	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	0.074	1.052
Rmeas	0.080	1.141
Rpim	0.031	0.436
Number of reflections	117039
<I/σ(I)>	16.5	1.7
Completeness [%]	99.4	95.9
Redundancy	6.7	6.5
CC(1/2)	0.999	0.660

Crystallization Conditions

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