3A15

Crystal Structure of Substrate-Free Form of Aldoxime Dehydratase (OxdRE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	97.904, 77.066, 104.831
Unit cell angles	90.00, 101.06, 90.00

Refinement procedure

Resolution	19.880 - 1.790
R-factor	0.163
Rwork	0.161
R-free	0.19300
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.229
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (refmac_5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.860
High resolution limit [Å]	1.790	3.870	1.790
Rmerge	0.057	0.036	0.325
Number of reflections	141582
<I/σ(I)>	22.83		2.6
Completeness [%]	99.6	99.8	98.7
Redundancy	4.4	5.4	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	18% (W/V) PEG 4000, 0.075M sodium cacodylate, 0.1M magnesium acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	18% (W/V) PEG 4000, 0.075M sodium cacodylate, 0.1M magnesium acetate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K