5HWJ

Crystal structure of keto-deoxy-D-galactarate dehydratase

Replaces:  4UR5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-02-27
Detector	PSI PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	168.940, 118.420, 74.300
Unit cell angles	90.00, 112.32, 90.00

Refinement procedure

Resolution	47.709 - 1.648
R-factor	0.1622
Rwork	0.161
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3e96
RMSD bond length	0.010
RMSD bond angle	1.298
Data reduction software	XDS
Phasing software	MOLREP
Refinement software	PHENIX (dev_1803)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	1.750
High resolution limit [Å]	1.650	1.650
Rmerge	0.070	0.580
Number of reflections	159523
<I/σ(I)>	10	2
Completeness [%]	98.1	95.6
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	294	BICINE, sodium formate, PEG MME 5000