3CH0

Crystal structure of glycerophosphoryl diester phosphodiesterase (YP_677622.1) from Cytophaga hutchinsonii ATCC 33406 at 1.50 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	2008-02-04
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97910
Spacegroup name	P 21 21 21
Unit cell lengths	49.532, 61.211, 113.699
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.553 - 1.500
R-factor	0.16
Rwork	0.158
R-free	0.18900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.655
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.553	29.553	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.083	0.043	0.707
Total number of observations		2461	15893
Number of reflections	56237
<I/σ(I)>	6.4	13.2	1.1
Completeness [%]	100.0	98.8	100
Redundancy	3.9	3.4	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	NANODROP, 14.0% PEG 4000, 24.227% 2-propanol, 5.0% Glycerol, 0.1M Citric acid pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K