1K0G

THE CRYSTAL STRUCTURE OF AMINODEOXYCHORISMATE SYNTHASE FROM PHOSPHATE GROWN CRYSTALS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	115
Detector technology	CCD
Collection date	2000-09-17
Detector	MARRESEARCH
Wavelength(s)	1.06
Spacegroup name	P 21 21 21
Unit cell lengths	102.010, 109.710, 134.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.050
R-factor	0.1726
R-free	0.23760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PABB GROWN IN FORMATE PDB ENTRY 1K0E
RMSD bond length	0.021
RMSD bond angle	0.057
Data scaling software	X-GEN
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.160
High resolution limit [Å]	2.050	2.050
Rmerge	0.063	0.327
Total number of observations	348268 *
Number of reflections	88221
<I/σ(I)>	28.1	2.7
Completeness [%]	99.6	98.6
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	298	0.1M HEPES pH7.5, 1.6M Na/K Phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K (PROTEIN SOLUTION: 50mM MOPS pH 7 50mM KCL, 5mM MG CL2, 2 mM DTT, 40.2 MG/ML PROTEIN. WELL SOL 0.1 M NA HEPES pH 7.5, 0.8 M NA PHOSPHATE, 0.8 M K PHOSPHATE)

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MOPS pH 7
2	1	1	KCL
3	1	1	MG CL2
4	1	1	DTT
5	1	2	NA HEPES pH 7.5
6	1	2	NA PHOSPHATE
7	1	2	K PHOSPHATE

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 HEPES	0.1 (M)	pH7.5
7	1	reservoir	sodium phophate	0.8 (M)
8	1	reservoir	potassium phosphate	0.8 (M)