1FWT

AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP, E4P 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
Spacegroup name	P 31 2 1
Unit cell lengths	84.164, 84.164, 159.737
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.450 - 1.900
Rwork	0.197
R-free	0.22200
RMSD bond length	0.006 *
RMSD bond angle	22.500
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.120	0.620
Total number of observations	556519 *
Number of reflections	46313
<I/σ(I)>	14.4
Completeness [%]	88.4	54.5
Redundancy	12	5.5

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 (%)