6SU2

Trypanosoma congolense pyruvate kinase in complex with citrate and glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-09-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.99986
Spacegroup name	I 2 2 2
Unit cell lengths	112.770, 182.460, 244.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.740 - 3.000
R-factor	0.252
Rwork	0.250
R-free	0.28400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.190
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.740	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.193	2.616
Rmeas	0.201	2.718
Rpim	0.054	0.730
Number of reflections	50876	5019
<I/σ(I)>	12.18	0.88
Completeness [%]	99.9
Redundancy	13.6
CC(1/2)	0.998	0.347

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	50 mM magnesium acetate, 225 mM sodium acetate, 10% PEG 8000, 2.5 mM F16BP