1ZI8

Crystal Structure Analysis of the dienelactone hydrolase mutant(E36D, C123S, A134S, S208G, A229V, K234R)- 1.4 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2002-07-13
Detector	ADSC QUANTUM 4
Wavelength(s)	1.2915
Spacegroup name	P 21 21 21
Unit cell lengths	48.494, 70.408, 77.219
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.850 - 1.400
R-factor	0.171
Rwork	0.171
R-free	0.18900
Structure solution method	Known Structure
Starting model (for MR)	1din
RMSD bond length	0.024
RMSD bond angle	2.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.850	1.490
High resolution limit [Å]	1.400	1.400
Rmerge	0.041	0.119
Number of reflections	88793
<I/σ(I)>	32.5
Completeness [%]	97.3	86.7
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.1M Sodium Citrate buffer, 1.2M Ammonium Sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K