6QGB

Crystal structure of Ideonella sakaiensis MHETase bound to benzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-17
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	111.141, 184.048, 247.441
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.086 - 2.200
R-factor	0.1857
Rwork	0.185
R-free	0.21350
RMSD bond length	0.007
RMSD bond angle	0.707
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]	50.000	2.330
High resolution limit [Å]	2.200	2.200
Number of reflections	254053
<I/σ(I)>	6.54
Completeness [%]	98.9
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M HEPES, pH 7.5, 30% (v/v) 2,4-MPD and 0.12 M ammonium sulfate