5J84

Crystal structure of L-arabinonate dehydratase in holo-form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97957
Spacegroup name	P 1 21 1
Unit cell lengths	106.070, 208.610, 147.090
Unit cell angles	90.00, 90.43, 90.00

Refinement procedure

Resolution	39.889 - 2.400
R-factor	0.155
Rwork	0.156
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gp4
RMSD bond length	0.006
RMSD bond angle	0.807
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.500
High resolution limit [Å]	2.400	2.400
Number of reflections	246940
<I/σ(I)>	12.3	2
Completeness [%]	99.3	99
Redundancy	3.2	3.1
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	4 M Sodium formate, 0.1 M MES pH 7.0