3GFY

Klebsiella pneumoniae BlrP1 with FMN and cyclic diGMP, no metal ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Detector technology	CCD
Collection date	2007-01-01
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.98407
Spacegroup name	P 21 21 21
Unit cell lengths	68.430, 96.530, 127.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.560 - 2.600
R-factor	0.25904
Rwork	0.258
R-free	0.28577
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.368
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.2.0005)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.560	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.104	0.352
Number of reflections	25028
<I/σ(I)>	13.4
Completeness [%]	96.4	96.4
Redundancy	5.4	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	protein in 5 mM cy-diGMP, 5 mM CaCl2, 25 mM Tris-HCl pH 8.0, 40 mM NaCl, 5 mM MgCl2, 2 mM EDTA, 2 mM DTE, 5% glycerol, reservoir 0.1 M Na-Ac buffer pH 4.5, 0.2 M Ca-acetate, 17-20%PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K