3L12

Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (YP_165505.1) from Silicibacter pomeroyi DSS-3 at 1.60 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	2009-06-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97917,0.97862
Spacegroup name	P 1 21 1
Unit cell lengths	50.409, 136.411, 50.548
Unit cell angles	90.00, 118.00, 90.00

Refinement procedure

Resolution	27.277 - 1.600
R-factor	0.158
Rwork	0.156
R-free	0.18700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.716
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.277	27.280	1.640
High resolution limit [Å]	1.600	7.160	1.600
Rmerge	0.074	0.054	0.417
Total number of observations		2240	14633
Number of reflections	78581
<I/σ(I)>	9.3	22.6	2
Completeness [%]	99.3	97.1	98.4
Redundancy	2.6	2.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.6	277	0.4000M magnesium chloride, 18.0000% polyethylene glycol 8000, 0.1M TRIS pH 8.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K