2IAW

Crystal structure of squid ganglion DFPase N175D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2003-07-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.8424
Spacegroup name	P 21 21 21
Unit cell lengths	42.930, 81.590, 86.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.000 - 1.740
Rwork	0.165
R-free	0.21085
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e1a
RMSD bond length	0.015
RMSD bond angle	1.725
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	90.000
High resolution limit [Å]	1.740
Number of reflections	2078

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	12% PEG 6000, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K