4WL0

Ligand-free structure of human platelet phosphofructokinase in an R-state, 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	2013-10-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	79.343, 178.062, 133.117
Unit cell angles	90.00, 104.45, 90.00

Refinement procedure

Resolution	46.970 - 2.890
R-factor	0.212
Rwork	0.211
R-free	0.23630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished low resolution structure
RMSD bond length	0.005
RMSD bond angle	1.092
Data reduction software	XDS
Data scaling software	XSCALE (2.5.1)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		3.060
High resolution limit [Å]	2.890	8.540	2.890
Rmerge	0.077	0.019	0.573
Rmeas	0.091	0.023	0.676
Total number of observations	289757
Number of reflections	79810	3126	12688
<I/σ(I)>	13.1	52.72	2.11
Completeness [%]	99.3	98.1	98.1
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	292	0.1 M KCl, 0.025 M MgCl2, 0.05 M Na Cacodylate, 15% iso-Propanol