1E1A

Crystal structure of DFPase from Loligo vulgaris

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1999-09-15
Detector	MARRESEARCHESARCH
Spacegroup name	P 21 21 21
Unit cell lengths	42.900, 81.700, 86.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.800
R-factor	0.1763
Rwork	0.176
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	27.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.052 *	0.108
Total number of observations	145181 *
Number of reflections	27579
Completeness [%]	95.3	84.4
Redundancy	5.26

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	289	Scharff, E.I., (2001) Acta Crystallogr.,Sect.D, 57, 148. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	12 (%(w/v))
2	1	reservoir	MES	0.1 (M)
3	1	drop	protein	2 (mM)