1K0E

THE CRYSTAL STRUCTURE OF AMINODEOXYCHORISMATE SYNTHASE FROM FORMATE GROWN CRYSTALS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Temperature [K]	115
Detector technology	CCD
Collection date	2000-11-17
Detector	MARRESEARCH
Wavelength(s)	1.000
Spacegroup name	P 21 21 2
Unit cell lengths	111.992, 185.718, 45.077
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.000
R-factor	0.206
R-free	0.31500 *
Structure solution method	MAD
RMSD bond length	0.021
RMSD bond angle	0.061
Data scaling software	d*TREK
Phasing software	SHELXD
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.080
High resolution limit [Å]	2.000	2.000
Rmerge	0.100	0.208
Total number of observations	269253 *
Number of reflections	55584
<I/σ(I)>	11.5	4.8
Completeness [%]	91.2	90.4
Redundancy	5. *	3. *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	298	0.1M sodium acetate buffer, 2.0M sodium formate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K (PROTEIN SOLUTION: 50mM MOPS pH 7.5, 50mM KCL, 5mM MG CL2, 2 mM DTT, 40.2 MG/ML PROTEIN. WELL SOLUTION: 0.1 M NA ACETATE pH 4.6, 2.0 M NA FORMATE)

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MOPS pH 7.5
2	1	1	KCL
3	1	1	MG CL2
4	1	1	DTT
5	1	2	NA ACETATE
6	1	2	NA FORMATE

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40.2 (mg/ml)
2	1	drop	MOPS	50 (mM)	pH7.4
3	1	drop		50 (mM)
4	1	drop		5 (mM)
5	1	drop	dithiothreitol	2 (mM)
6	1	reservoir	sodium acetate	0.1 (M)	pH4.6
7	1	reservoir	sodium formate	2.0 (M)