1LRN

Aquifex aeolicus KDO8P synthase H185G mutant in complex with Cadmium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-04-16
Detector	RIGAKU RAXIS
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	84.382, 84.382, 159.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.000 - 2.100
Rwork	0.204
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	22.400 *
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.000	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.166 *
Total number of observations	304220 *
Number of reflections	37881
<I/σ(I)>	8.8
Completeness [%]	96.7	90.5
Redundancy	8.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	4 *	Duewel, H.S., (2001) J.Biol.Chem., 276, 8393. *

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 (%)