6ETJ

HUMAN PFKFB3 IN COMPLEX WITH KAN0438241

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	2012-03-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	P 65 2 2
Unit cell lengths	103.774, 103.774, 259.563
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.280 - 2.510
R-factor	0.1943
Rwork	0.192
R-free	0.23530
RMSD bond length	0.011
RMSD bond angle	1.626
Data reduction software	XSCALE
Data scaling software	XSCALE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.280	34.280	2.580
High resolution limit [Å]	2.510	11.230	2.510
Rmerge	0.096	0.027	0.753
Rmeas	0.111	0.032	0.863
Number of reflections	29050	381	2101
<I/σ(I)>	11.57	31.1	1.9
Completeness [%]	99.5	91.4	99.9
Redundancy	4.128	3.15	4.261

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	PEG3350, Hepes, glycerol