6NU5

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

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	2016-09-17
Detector	RDI CMOS_8M
Wavelength(s)	1.000030
Spacegroup name	C 1 2 1
Unit cell lengths	110.000, 94.130, 109.260
Unit cell angles	90.00, 95.61, 90.00

Refinement procedure

Resolution	41.980 - 1.600
R-factor	0.167
Rwork	0.166
R-free	0.18180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6b6u
RMSD bond length	0.006
RMSD bond angle	0.797
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]	41.980	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.047	0.412
Number of reflections	145145	20906
<I/σ(I)>	25.2	3.2
Completeness [%]	99.6	98.4
Redundancy	7	6.3

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