7L21

Pyruvate Kinase M2 mutant-N70D

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-07-15
Detector	RDI CMOS_8M
Wavelength(s)	1.000030
Spacegroup name	C 2 2 21
Unit cell lengths	139.336, 158.303, 241.611
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.810 - 2.290
R-factor	0.1856
Rwork	0.183
R-free	0.22920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6u
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.811	63.811	2.410
High resolution limit [Å]	2.290	7.240	2.290
Rmerge		0.030	0.603
Rmeas	0.133	0.032	0.647
Rpim	0.034	0.008	0.166
Total number of observations	1811940	57950	259830
Number of reflections	119675	4032	17265
<I/σ(I)>	22.9	71.5	4.9
Completeness [%]	100.0	99.8	100
Redundancy	15.1	14.4	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M bis tris propane, 22-24 % PEG 3350