1Q1L

Crystal Structure of Chorismate Synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2003-06-11
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	153.428, 95.959, 113.462
Unit cell angles	90.00, 93.04, 90.00

Refinement procedure

Resolution	30.000 * - 2.050
R-factor	0.209
Rwork	0.209
R-free	0.25000 *
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	22.100 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.120
High resolution limit [Å]	2.050	2.050
Rmerge	0.073	0.503 *
Total number of observations	651230 *
Number of reflections	99491 *
<I/σ(I)>	26.4	3.3
Completeness [%]	97.5 *	92.8 *
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5		30% isopropanol, 0.1M Na Hepes, 0.2M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K
1	VAPOR DIFFUSION, HANGING DROP	7.5		30% isopropanol, 0.1M Na Hepes, 0.2M magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	isopropanol	30 (%)
2	1	reservoir		0.2 (M)
3	1	reservoir	sodium HEPES	0.1 (M)	pH7.5