7R6Y

E117K mutant pyruvate kinase from rabbit muscle

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-23
Detector	ADSC QUANTUM 210
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	108.340, 121.830, 161.370
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.970 - 2.250
R-factor	0.2033
Rwork	0.201
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aqf
RMSD bond length	0.006
RMSD bond angle	0.898
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.180	2.370
High resolution limit [Å]	2.250	2.250
Number of reflections	101836	14698
<I/σ(I)>	17.5
Completeness [%]	99.9
Redundancy	7.2
CC(1/2)	0.990	0.810

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	0.2 M magnesium acetate, 0.1 M sodium cacodylate pH 6.5, and 18% w/v Polyethylene Glycol 8000