1FY6

AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH CADMIUM AND A5P

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	84.671, 84.671, 160.036
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.000 * - 1.890
Rwork	0.219
R-free	0.25700
RMSD bond length	0.006
RMSD bond angle	22.900 *
Data reduction software	SIEMENS
Data scaling software	SAINT
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.000 *	2.010
High resolution limit [Å]	1.890	1.890
Rmerge	0.080	0.258
Total number of observations	381111 *
Number of reflections	45480
<I/σ(I)>	29.2
Completeness [%]	84.7	65.9
Redundancy	7.4	2.43

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 (%)