5WSA

Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate and allosteric activator Glucose 6-Phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-06-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 31
Unit cell lengths	125.420, 125.420, 144.192
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	62.710 - 2.850
R-factor	0.15315
Rwork	0.151
R-free	0.19534
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wrp
RMSD bond length	0.014
RMSD bond angle	1.329
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.710	2.930
High resolution limit [Å]	2.850	2.850
Number of reflections	59240
<I/σ(I)>	13.7	3.3
Completeness [%]	100.0	100
Redundancy	5.6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	277	12% PEG 8000, 20% glycerol, 50 mM triethanolamine-HCl (TEA) buffer pH 7.2, 100 mM KCl, 50 mM MgCl2, 5 mM oxalate, 5 mM ATP, 5 mM D-Glucose 6-Phosphate.