1O1Z

Crystal structure of glycerophosphodiester phosphodiesterase (GDPD) (TM1621) from Thermotoga maritima at 1.60 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2002-10-26
Detector	APS-1
Wavelength(s)	0.98011, 0.97938, 0.97918, 0.95671
Spacegroup name	P 21 21 2
Unit cell lengths	132.410, 41.790, 51.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.600
R-factor	0.141
Rwork	0.139
R-free	0.18000
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.410 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.955)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.050 *	0.196 *
Total number of observations	255060 *
Number of reflections	38012
<I/σ(I)>	62.01	10.06
Completeness [%]	100.0	95.3
Redundancy	6.71	3.51

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	9.6	277	40% (v/v) PEG-600, 0.1M CHES pH 9.5, pH 9.6, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, pH 9.60

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	20 (mM)	pH7.9
2	1	drop		150 (mM)
3	1	drop	TCEP	0.25 (mM)
4	1	drop	protein	20 (mg/ml)
5	1	reservoir	PEG600	40 (%)
6	1	reservoir	CHES	0.1 (M)	pH9.6