6QG9

Crystal structure of Ideonella sakaiensis MHETase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 1
Unit cell lengths	111.286, 137.949, 137.051
Unit cell angles	83.01, 66.88, 68.45

Refinement procedure

Resolution	40.000 - 2.050
R-factor	0.2122
Rwork	0.210
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6qga
RMSD bond length	0.011
RMSD bond angle	1.117
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.150
High resolution limit [Å]	2.050	2.050
Number of reflections	408240
<I/σ(I)>	5.55	0.93
Completeness [%]	98.6
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M MES, pH 6.5, 10% (v/v) PEG8000 and 0.1 M zinc acetate