6ECK

Pyruvate Kinase Isoform L-type with phosphorylated Ser113 (pS113) in complex with FBP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9778
Spacegroup name	P 21 21 2
Unit cell lengths	97.774, 111.843, 127.507
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.590 - 2.360
R-factor	0.207
Rwork	0.203
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ip7
RMSD bond length	0.012
RMSD bond angle	1.560
Data reduction software	HKL-2000 (2000)
Data scaling software	Aimless (0.7.2)
Phasing software	PHASER (2.7.0)
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.590	48.540	2.430
High resolution limit [Å]	2.360	10.020	2.360
Rmerge	0.147	0.060	1.200
Rmeas	0.162	0.067	1.302
Rpim	0.066	0.027	0.500
Number of reflections	56712	847	4293
<I/σ(I)>	7.8
Completeness [%]	97.9	98.1	92
Redundancy	6.2	5.8	6.6
CC(1/2)	0.994	0.995	0.750

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	0.1 M HEPES, pH 7.5, 10% ethylene glycol, 12% PEG8000