5AJZ

Human PFKFB3 in complex with an indole inhibitor 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND
Synchrotron site	Diamond
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 65 2 2
Unit cell lengths	102.480, 102.480, 258.960
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	88.750 - 2.350
R-factor	0.1848
Rwork	0.183
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	88.750	2.360
High resolution limit [Å]	2.350	2.350
Rmerge	0.070	0.510
Number of reflections	34476
<I/σ(I)>	14.8	2.9
Completeness [%]	100.0	100
Redundancy	6.5	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.2M SODIUM MALONATE, 18W/V% PEG3350 AND 0.1 M PCTP BUFFER PH 7.0