2CJP

Structure of potato (Solanum tuberosum) epoxide hydrolase I (StEH1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-08-03
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	55.926, 98.532, 122.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.600 - 1.950
R-factor	0.205
Rwork	0.203
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vj5
RMSD bond length	0.008
RMSD bond angle	1.064
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.600	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.060	0.470
Number of reflections	49514
<I/σ(I)>	20.9	3.1
Completeness [%]	99.2	98.6
Redundancy	5.1	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5		1 UL DROPS OF PROTEIN SOLUTION (7.2 MG/ML, I.E. 0.2 MM, IN 30 MM TRIS-HCL, PH 7.4, 5 MM VALPROMIDE) WERE MIXED WITH 1 UL DROPS OF RESERVOIR SOLUTION (CONTAINING 90 MM NA-HEPES, PH 7.5, 25% PEG 10, 000), AND EQUILIBRATED BY SITTING-DROP VAPOR DIFFUSION AT ROOM TEMPERATURE.