1G1B

CHORISMATE LYASE (WILD-TYPE) WITH BOUND PRODUCT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-03-20
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	39.753, 60.363, 65.870
Unit cell angles	90.00, 94.43, 90.00

Refinement procedure

Resolution	8.000 * - 2.000 *
R-factor	0.196
Rwork	0.196
R-free	0.27000 *
RMSD bond length	0.025
RMSD bond angle	26.200 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000 *
Rmerge	0.060 *	0.220
Total number of observations	111649 *
Number of reflections	20385
<I/σ(I)>	18.1
Completeness [%]	94.0 *	78 *
Redundancy	5.5	1.5

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)