3HNO

Crystal Structure of Pyrophosphate-dependent phosphofructokinase from Nitrosospira multiformis. Northeast Structural Genomics Consortium target id NmR42

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-20
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	211.895, 89.322, 115.462
Unit cell angles	90.00, 119.12, 90.00

Refinement procedure

Resolution	39.450 - 2.000
R-factor	0.216
Rwork	0.216
R-free	0.24100
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.056	0.218
Number of reflections	253147
<I/σ(I)>	31.4	12
Completeness [%]	96.0	94
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	100 mM KBr, 100mM na3citrate, pH 4.5, 18% Peg 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K