5EAS

5-EPI-ARISTOLOCHENE SYNTHASE FROM NICOTIANA TABACUM

Experimental procedure

Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	1996-03
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	124.730, 124.730, 118.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.250
R-factor	0.24
Rwork	0.240
R-free	0.20000
Structure solution method	MIRAS
RMSD bond length	0.007
RMSD bond angle	17.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	VECSUM
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.300
High resolution limit [Å]	2.250	2.250
Rmerge	0.063 *	0.275 *
Total number of observations	272509 *
Number of reflections	42946
<I/σ(I)>	11	5.9
Completeness [%]	95.2	96.7
Redundancy	6.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.9		PROTEIN WAS CRYSTALLIZED FROM 15% PEG 8000, 200 MM MG(OAC)2, 100 MM MOPSO PH 6.9, 1MM DTT; SOAKING SOLUTION FOR FREEZING ALSO INCLUDED 20% ETHYLENE GLYCOL.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	15 (%)
2	1	reservoir		200 (mM)
3	1	reservoir	MOPSO	100 (mM)
4	1	reservoir	dithiothreitol	1 (mM)