1JCX

Aquifex aeolicus KDO8P synthase in complex with API and Cadmium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-08-01
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	84.532, 84.532, 160.199
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.270 - 1.800
R-factor	0.206 *
Rwork	0.206
R-free	0.22900
RMSD bond length	0.005
RMSD bond angle	1.500 *
Data scaling software	SCALEPACK
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.059
Total number of observations	837390 *
Number of reflections	58558 *
<I/σ(I)>	21
Completeness [%]	94.2
Redundancy	14.3

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 (%)