1NBW

Glycerol dehydratase reactivase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 5ID-B
Synchrotron site	APS
Beamline	5ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-09-15
Detector	MARRESEARCH
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	110.000, 110.000, 332.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.400
Rwork	0.232
R-free	0.27100
Structure solution method	SIRAS
RMSD bond length	0.006
RMSD bond angle	24.180 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.061	0.206
Total number of observations	534068 *
Number of reflections	79404
<I/σ(I)>	29.3	4.4
Completeness [%]	98.2	82.4
Redundancy	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	Na Acetate, Imidazole, CaCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	0.55 (M)
2	1	reservoir	imidazole	0.1 (M)	pH6.5-6.6
3	1	reservoir		0.05 (M)