6NUB

Pyruvate Kinase M2 Mutant - S437Y in Complex with L-serine

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	2017-09-17
Detector	RDI CMOS_8M
Wavelength(s)	1.000030
Spacegroup name	C 1 2 1
Unit cell lengths	110.110, 94.230, 109.130
Unit cell angles	90.00, 95.63, 90.00

Refinement procedure

Resolution	36.806 - 1.700
R-factor	0.1551
Rwork	0.154
R-free	0.17420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6u
RMSD bond length	0.007
RMSD bond angle	0.858
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.960	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.054	0.312
Number of reflections	121214	17221
<I/σ(I)>	25.9	4.9
Completeness [%]	99.6	97.3
Redundancy	7	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	291	0.2 M SODIUM THIOCYANATE, 100 mM BIS-TRIS PROPANE, 16-20% PEG 3350