6JTU

Crystal structure of MHETase from Ideonella sakaiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-12-18
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	214.931, 173.163, 107.225
Unit cell angles	90.00, 119.86, 90.00

Refinement procedure

Resolution	33.210 - 2.100
R-factor	0.1719
Rwork	0.171
R-free	0.19750
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.749
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rpim	0.063	0.175
Number of reflections	196929	9385
<I/σ(I)>	22.9
Completeness [%]	97.7
Redundancy	3.5
CC(1/2)	0.977	0.861

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	PEG3350, HEPES, Tacsimate pH 7.0