4KCV

Pyruvate kinase (PYK) from Trypanosoma brucei soaked with 2-oxoglutaric acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Spacegroup name	I 2 2 2
Unit cell lengths	103.250, 108.010, 265.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	74.630 - 2.180
R-factor	0.15934
Rwork	0.158
R-free	0.19341
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.039
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.630	2.300
High resolution limit [Å]	2.180	2.180
Number of reflections	77484
Completeness [%]	100.0	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	15-20% PEG 8,000, 10-20% glycerol, 80 uM F26BP, 800 uM Ponceau S, 50 mM TEA, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K