5ONZ

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-24
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.87290
Spacegroup name	P 21 21 2
Unit cell lengths	86.223, 158.901, 87.953
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.668 - 1.930
R-factor	0.1509
Rwork	0.149
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ohz
RMSD bond length	0.010
RMSD bond angle	0.984
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]	48.670	2.000
High resolution limit [Å]	1.930	1.930
Rmerge	0.126	1.227
Rmeas	0.139	1.340
Rpim	0.056	0.533
Number of reflections	91224
<I/σ(I)>	8.8	1.5
Completeness [%]	99.8	98.7
Redundancy	6	6.2
CC(1/2)	0.994	0.560

Crystallization Conditions

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