1FWS

AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP 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	1999-09-16
Detector	RIGAKU RAXIS
Spacegroup name	P 31 2 1
Unit cell lengths	84.230, 84.230, 159.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.040 - 1.900
R-factor	0.189
Rwork	0.189
R-free	0.21700
RMSD bond length	0.005
RMSD bond angle	22.500
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.040	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.510
Total number of observations	613584 *
Number of reflections	47213
<I/σ(I)>	18.4
Completeness [%]	90.2	60.2
Redundancy	13	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 (%)