5OHZ

Crystal structure of Mycolicibacterium hassiacum glucosylglycerate hydrolase (MhGgH) - SeMet derivative

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97909, 0.97924
Spacegroup name	P 1 21 1
Unit cell lengths	90.750, 86.101, 159.720
Unit cell angles	90.00, 93.03, 90.00

Refinement procedure

Resolution	57.421 - 2.036
R-factor	0.2012
Rwork	0.199
R-free	0.24460
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.099
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXDE
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.421	2.070
High resolution limit [Å]	2.036	2.040
Rmerge	0.105	0.637
Rmeas	0.128	0.776
Rpim	0.072	0.438
Number of reflections	255146
<I/σ(I)>	7.6	1.6
Completeness [%]	96.5	82.1
Redundancy	2.8	2.8
CC(1/2)	0.990	0.659

Crystallization Conditions

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