2D0O

Structure of diol dehydratase-reactivating factor complexed with ADP and Mg2+

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2004-09-30
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	83.261, 84.599, 280.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.480 - 2.000
R-factor	0.198
Rwork	0.198
R-free	0.23200
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	0.900
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.600	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.087	0.598
Number of reflections	133910
<I/σ(I)>	11.2
Completeness [%]	99.9	99.8
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG400, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	8	293	PEG400, ammonium sulfate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K