1DGP

ARISTOLOCHENE SYNTHASE FARNESOL COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	123
Detector technology	CCD
Collection date	1999-03-25
Detector	ADSC QUANTUM 4
Spacegroup name	I 4 2 2
Unit cell lengths	208.200, 208.200, 139.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.235
Rwork	0.234
R-free	0.26400
RMSD bond length	0.007
RMSD bond angle	1.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.960
High resolution limit [Å]	2.800	2.810
Rmerge	0.101	0.402
Total number of observations	157067 *
Number of reflections	47681
<I/σ(I)>	11.5
Completeness [%]	93.7	95.2
Redundancy	3.3	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	8	277	This particular structure is not described in this paper. *
1	unknown *	8	277	This particular structure is not described in this paper. *