6ILW

Crystal structure of PETase from Ideonella sakaiensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9776
Spacegroup name	P 21 21 21
Unit cell lengths	50.964, 51.410, 85.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.079 - 1.575
R-factor	0.1603
Rwork	0.160
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.038
RMSD bond angle	2.103
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.550	1.550
Rmerge	0.037	0.174
Rmeas	0.038	0.181
Rpim	0.011	0.052
Number of reflections	31751	1630
<I/σ(I)>	59.37	14.8
Completeness [%]	94.6	49.4
Redundancy	12.6	11.7
CC(1/2)		0.991

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	289	0.1M Bis-Tris, pH 5.5, 3M NaCl