1N8F

Crystal structure of E24Q mutant of phenylalanine-regulated 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Escherichia Coli in complex with Mn2+ and PEP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	200
Detector technology	CCD
Collection date	2001-08-19
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9787
Spacegroup name	C 1 2 1
Unit cell lengths	213.224, 53.277, 150.245
Unit cell angles	90.00, 116.90, 90.00

Refinement procedure

Resolution	20.000 - 1.750
Rwork	0.209
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	22.000 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.059	0.348
Number of reflections	151346
<I/σ(I)>	15.5	2.5
Completeness [%]	99.4	98.6
Redundancy	4.2	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.1	294	PEG4000, manganese sulfate, phosphoenolpyruvate, lithium sulfate, bis-tris propane, pH 8.1, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
10	1	reservoir	BTP	50 (mM)	pH8.1
2	1	drop	PEP	4.2 (mM)
3	1	drop		0.7 (mM)
4	1	drop		0.1 (M)
5	1	drop	PEG4000	12 (%(w/v))
6	1	drop	BTP	50 (mM)	pH8.1
7	1	reservoir	PEG4000	30 (%)
8	1	reservoir		0.1 (M)
9	1	reservoir	ethanol	20 (%(v/v))