1JCY

Aquifex aeolicus KDO8P synthase in complex with R5P, PEP and Cadmium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	84.316, 84.316, 159.569
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.000 - 1.900
R-factor	0.202 *
Rwork	0.202
R-free	0.23100
RMSD bond length	0.005
RMSD bond angle	1.400 *
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.066
Total number of observations	419681 *
Number of reflections	46090 *
<I/σ(I)>	21.4
Completeness [%]	87.8
Redundancy	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	4 *	Duewel, H.S., (2001) J. Biol. Chem., 276, 8393. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	30 (mg/ml)
2	1	reservoir	sodium acetate	100 (mM)
3	1	reservoir	PEG4000	5-6 (%)