1FX6

AQUIFEX AEOLICUS KDO8P SYNTHASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	AREA DETECTOR
Detector	SIEMENS HI-STAR
Spacegroup name	P 31 2 1
Unit cell lengths	84.589, 84.589, 159.634
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.050 - 2.060
Rwork	0.216
R-free	0.25900
RMSD bond length	0.006
RMSD bond angle	22.400
Data reduction software	SIEMENS
Data scaling software	SAINT
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.050	2.130
High resolution limit [Å]	2.060	2.060
Rmerge	0.088	0.461
Total number of observations	362497 *
Number of reflections	34118
<I/σ(I)>	17.5
Completeness [%]	81.7	21.9
Redundancy	9.4	4.4

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 (%)