5OHC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-29
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.96770
Spacegroup name	P 21 21 2
Unit cell lengths	85.853, 159.282, 91.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.279 - 2.000
R-factor	0.1689
Rwork	0.167
R-free	0.20980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	0.993
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.280	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.084	1.276
Rmeas	0.094	1.426
Rpim	0.042	0.622
Number of reflections	84736
<I/σ(I)>	12.1	1.2
Completeness [%]	99.6	99.8
Redundancy	4.6	4.8
CC(1/2)	0.998	0.559

Crystallization Conditions

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