4A3S

Crystal structure of PFK from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-30
Detector	ADSC CCD
Spacegroup name	P 21 21 2
Unit cell lengths	102.429, 77.007, 101.633
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.736 - 2.300
R-factor	0.2317
Rwork	0.229
R-free	0.27550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pfk
RMSD bond length	0.010
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.110	0.360
Number of reflections	35387
<I/σ(I)>	11.9	3.4
Completeness [%]	97.4	84.2
Redundancy	5.8	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		100 MM NA HEPES PH 7.0, 12% (W/V) PEG 6000.