4DU5

Crystal structure of PfkB protein from Polaromonas sp. JS666

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	82.923, 83.084, 196.202
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.680 - 2.700
R-factor	0.22939
Rwork	0.226
R-free	0.29649
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v19
RMSD bond length	0.015
RMSD bond angle	1.689
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.080	0.470
Number of reflections	46596
<I/σ(I)>	7.8	4
Completeness [%]	98.2	92.6
Redundancy	12.9	12.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2M NaCl, 0.1M Bis-tris, 25% PEG3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K