6DU6

Crystal structure of the pyruvate kinase (PK1) from the mosquito Aedes aegypti

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CAMD BEAMLINE GCPCC
Synchrotron site	CAMD
Beamline	GCPCC
Temperature [K]	145
Detector technology	CCD
Collection date	2016-06-09
Detector	MAR CCD 130 mm
Wavelength(s)	1.38079
Spacegroup name	P 21 21 21
Unit cell lengths	109.229, 113.654, 202.075
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.530 - 3.513
R-factor	0.2744
Rwork	0.271
R-free	0.31860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3n25
RMSD bond length	0.003
RMSD bond angle	0.726
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.530	3.730
High resolution limit [Å]	3.510	3.510
Rmerge	0.279	1.330
Rmeas	0.323	1.550
Number of reflections	60499	9668
<I/σ(I)>	5.79	0.99
Completeness [%]	99.8	99.5
Redundancy	3.9	3.8
CC(1/2)	0.980	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2M ammonium citrate tribasic pH 7, 20% w/v PEG 3350