1F3X

S402P MUTANT OF RABBIT MUSCLE PYRUVATE KINASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	105
Detector technology	IMAGE PLATE
Collection date	1996-12-30
Detector	MAC Science DIP-2000H
Spacegroup name	P 1
Unit cell lengths	82.138, 108.707, 144.387
Unit cell angles	95.26, 93.47, 112.24

Refinement procedure

Resolution	36.000 - 2.800
R-factor	0.273 *
Rwork	0.241
R-free	0.23900 *
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.132	0.256
Number of reflections	92167
<I/σ(I)>	11
Completeness [%]	81.8	79.2
Redundancy	1.6	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	18 *	PEG 8000, manganese chloride, potassium chloride, sodium pyruvate, succinate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium pyruvate	2.9 (mM)
2	1	drop		1.2 (mM)
3	1	drop		0.45 (M)
4	1	drop	succinate adjusted	30 (mM)
5	1	drop	PEG8000	9-11 (%(w/v))
6	1	drop	protein	1.5 (mg/ml)