3KS5

Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 2.05 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97855,0.97783
Spacegroup name	P 41 21 2
Unit cell lengths	84.153, 84.153, 214.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.069 - 2.050
R-factor	0.214
Rwork	0.212
R-free	0.24400
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.515
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.069	30.069	2.120
High resolution limit [Å]	2.050	4.400	2.050
Rmerge	0.080	0.029	0.971
Number of reflections	49371	9352	8496
<I/σ(I)>	11.54	35.9	1.4
Completeness [%]	99.4	99.3	95.9
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.2000M Ca(OAc)2, 10.0000% PEG-8000, 0.1M Imidazole pH 8.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K