4PB3

D-threo-3-hydroxyaspartate dehydratase H351A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-02-16
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0000
Spacegroup name	I 41 2 2
Unit cell lengths	157.603, 157.603, 157.426
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.700
R-factor	0.1668
Rwork	0.166
R-free	0.18514
RMSD bond length	0.026
RMSD bond angle	2.349
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.059	0.464
Number of reflections	107707
<I/σ(I)>	38.3	5.44
Completeness [%]	100.0	100
Redundancy	14.1	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG3350, Tris-HCl, MgCl2