6AT4

E. coli phosphoenolpyruvate carboxykinase bound to thiosulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.1158
Spacegroup name	P 21 21 21
Unit cell lengths	94.720, 103.614, 119.156
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.188 - 1.332
R-factor	0.1352
Rwork	0.135
R-free	0.15140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2olq
RMSD bond length	0.005
RMSD bond angle	0.803
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	119.156	1.400
High resolution limit [Å]	1.332	1.332
Rmerge	0.047	0.795
Number of reflections	470294	48895
<I/σ(I)>	13.78	1
Completeness [%]	90.7	58.2
Redundancy	3.5	2.21
CC(1/2)	0.999	0.436

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG 3350, 0.4 M sodium chloride, 0.1 M Bis-Tris pH 5.5, 0.1 M sodium thiosulfate