1FWW

AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP, A5P 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	2000-03-12
Detector	RIGAKU RAXIS
Spacegroup name	P 31 2 1
Unit cell lengths	84.108, 84.108, 159.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.130 - 1.850
Rwork	0.205
R-free	0.23800
RMSD bond length	0.005
RMSD bond angle	22.800
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.000 *	1.970
High resolution limit [Å]	1.850	1.850
Rmerge	0.088	0.576
Total number of observations	763003 *
Number of reflections	51825
<I/σ(I)>	17.3
Completeness [%]	91.4	60.1
Redundancy	14.7	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	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 (%)