1FW9

CHORISMATE LYASE WITH BOUND PRODUCT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-03-04
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	31.693, 33.859, 39.891
Unit cell angles	67.37, 87.37, 65.26

Refinement procedure

Resolution	7.990 - 1.400
R-factor	0.164
Rwork	0.164
R-free	0.18200
RMSD bond length	0.022
RMSD bond angle	26.500 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	PHASES
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.050 *	0.070
Total number of observations	136107 *
Number of reflections	26149 *
<I/σ(I)>	21
Completeness [%]	95.0	94 *
Redundancy	4.6	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7	4 *	Stover, C., (2000) J. Struct. Biol., 129, 96. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	26 (%(v/v))
2	1	reservoir	HEPES	80 (mM)
3	1	reservoir	isopropanol	5 (%(v/v))
4	1	reservoir	protein	5 (mM)