5OI1

Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) D182A variant in complex with serine and 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	86.286, 158.046, 87.654
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.007 - 1.750
R-factor	0.1475
Rwork	0.146
R-free	0.17190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	1.019
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]	42.230	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.070	0.987
Rmeas	0.079	1.102
Rpim	0.035	0.480
Number of reflections	119738
<I/σ(I)>	11.6	1.6
Completeness [%]	98.8	99.3
Redundancy	4.9	5
CC(1/2)	0.998	0.579

Crystallization Conditions

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