9KNK

Crystal structure of full-length PHA synthase (PhaC) from Aeromonas caviae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999994
Spacegroup name	C 1 2 1
Unit cell lengths	156.632, 96.300, 142.999
Unit cell angles	90.00, 90.46, 90.00

Refinement procedure

Resolution	47.660 - 3.290
R-factor	0.1948
Rwork	0.193
R-free	0.23460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.585
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.420
High resolution limit [Å]	3.290	3.290
Rmerge	0.069	0.508
Rmeas	0.083	0.604
Number of reflections	31906	5017
<I/σ(I)>	11.14
Completeness [%]	98.3	96.8
Redundancy	3.4	3.41
CC(1/2)	0.998	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277.15	Sodium chloride, glycerol, PEG6000, octyl beta-D-glucopyranoside