6SU1

Trypanosoma congolense pyruvate kinase in complex with citrate and glycerol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2015-06-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 1
Unit cell lengths	83.450, 107.150, 148.000
Unit cell angles	109.74, 90.51, 106.78

Refinement procedure

Resolution	49.330 - 3.000
R-factor	0.21
Rwork	0.208
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hyv
RMSD bond length	0.010
RMSD bond angle	1.240
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]	49.330	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.108	0.843
Rmeas	0.147	1.146
Rpim	0.098	0.771
Number of reflections	85798	8940
<I/σ(I)>	6.2	0.91
Completeness [%]	93.4
Redundancy	2
CC(1/2)	0.989	0.364

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM ammonium citrate dibasic, 12.5% PEG 3350