3W5S

Crystal Structure of Maleylacetate Reductase from Rhizobium sp. strain MTP-10005

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	2006-12-01
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	56.855, 121.150, 94.109
Unit cell angles	90.00, 101.48, 90.00

Refinement procedure

Resolution	29.740 - 1.490
R-factor	0.155
Rwork	0.154
R-free	0.17985
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.343
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.540
High resolution limit [Å]	1.490	1.490
Rmerge	0.036	0.323
Number of reflections	100798
Completeness [%]	99.4	95.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.4M ammonium sulfate, 0.1M sodium chloride, 2% (w/v) benzamidine-HCl, 0.1M Na HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.4M ammonium sulfate, 0.1M sodium chloride, 2% (w/v) benzamidine-HCl, 0.1M Na HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K