1FXP

AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH CADMIUM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-06-04
Detector	RIGAKU RAXIS
Spacegroup name	P 31 2 1
Unit cell lengths	84.742, 84.742, 159.651
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.200 - 1.800
Rwork	0.218
R-free	0.24900
RMSD bond length	0.005
RMSD bond angle	22.400 *
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000 *	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.097	0.578
Total number of observations	475864 *
Number of reflections	54713 *
<I/σ(I)>	13.6
Completeness [%]	83.9	34.4
Redundancy	8.7	2.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	4 *	drop contains protein and reservoir solution in a 1:1 ratio *

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 (%)