4XZ2

Human platelet phosphofructokinase in an R-state in complex with ADP and F6P, crystal form I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	76.652, 164.524, 133.200
Unit cell angles	90.00, 102.96, 90.00

Refinement procedure

Resolution	46.030 - 2.670
R-factor	0.21826
Rwork	0.216
R-free	0.25515
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wlo
RMSD bond length	0.011
RMSD bond angle	1.480
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (Phaser 2.5.1)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.830
High resolution limit [Å]	2.670	7.920	2.670
Rmerge	0.100	0.028	0.745
Rmeas	0.112	0.032	0.834
Total number of observations	450502
Number of reflections	89992	3548	14198
<I/σ(I)>	13.55	45.8	2.08
Completeness [%]	99.1	99	97.1
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	292	0.1 M KCl, 0.025 M MgCl2, 0.05 M Na Cacodylate, 15% iso-Propanol