3QVQ

The structure of an Oleispira antarctica phosphodiesterase OLEI02445 in complex with the product sn-glycerol-3-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-06-28
Detector	ADSC QUANTUM 210
Wavelength(s)	0.97937
Spacegroup name	P 21 21 21
Unit cell lengths	80.861, 92.717, 125.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.259 - 1.602
R-factor	0.1738
Rwork	0.172
R-free	0.20110
Structure solution method	SAD
Starting model (for MR)	none
RMSD bond length	0.013
RMSD bond angle	0.993
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	SHELXCD
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.259	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.085	0.374
Number of reflections	122939
<I/σ(I)>	31.893	5.2
Completeness [%]	99.3	93.3
Redundancy	8.5	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.2M Magnesium Chloride, 0.1M Bis-Tris pH6.5, 25% PEG3350, cocrystallized with 2.5mM Glycero-3Phosphocholine, and cryoprotected with Paratone-N oil, VAPOR DIFFUSION, HANGING DROP, temperature 294K