5OIE

Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) E419A 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)	0.96600
Spacegroup name	P 21 21 2
Unit cell lengths	86.187, 159.370, 88.345
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.781 - 2.071
R-factor	0.169
Rwork	0.167
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	1.004
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]	48.781	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.094	1.032
Rmeas	0.106	1.176
Rpim	0.048	0.551
Number of reflections	73877
<I/σ(I)>	10	1.3
Completeness [%]	98.9	92.6
Redundancy	4.6	4
CC(1/2)	0.997	0.625

Crystallization Conditions

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