2OX4

Crystal structure of putative dehydratase from Zymomonas mobilis ZM4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.97960
Spacegroup name	P 21 21 2
Unit cell lengths	190.178, 190.409, 85.922
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.14513
Rwork	0.144
R-free	0.18553
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gl5
RMSD bond length	0.010
RMSD bond angle	1.171
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.3.0028)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.094	0.480
Number of reflections	288410
<I/σ(I)>	4.8	2.2
Completeness [%]	100.0	99.8
Redundancy	6.7	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	100mM Tris-HCl, pH 8.5, 30% PEG 4000, 200mM Lithium sulfate, 10% Glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 294K