8F6M

Complex of Rabbit muscle pyruvate kinase with ADP and the phosphonate analogue of PEP mimicking the Michaelis complex.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	93.026, 216.396, 258.151
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.020 - 2.150
R-factor	0.1584
Rwork	0.156
R-free	0.20470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g50
RMSD bond length	0.013
RMSD bond angle	1.112
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.127	0.046	0.583
Total number of observations	2026691
Number of reflections	545313	54458	54585
<I/σ(I)>	7.9
Completeness [%]	100.0	99.8	100
Redundancy	3.7	3.7	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	15 mM succinate, 50 mM KCl, 19 to 24% PEG 8,000 well solution