5OO2

Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) E419A variant in complex with glucosylglycolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 2
Unit cell lengths	86.953, 157.676, 87.556
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.912 - 2.060
R-factor	0.1642
Rwork	0.162
R-free	0.20210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	1.030
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]	45.060	2.100
High resolution limit [Å]	2.060	2.060
Rmerge	0.124	1.410
Rmeas	0.135	1.526
Rpim	0.052	0.579
Number of reflections	75133
<I/σ(I)>	8.2	1.3
Completeness [%]	100.0	100
Redundancy	6.7	6.9
CC(1/2)	0.997	0.575

Crystallization Conditions

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