1UJM

Crystal structure of aldehyde reductase 2 from Sporobolomyces salmonicolor AKU4429

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	173
Detector technology	CCD
Collection date	2003-06-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97899, 0.97916, 1.0
Spacegroup name	P 21 21 21
Unit cell lengths	54.869, 83.511, 148.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.030 - 2.000
R-factor	0.198
Rwork	0.198
R-free	0.24400
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.030	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.059	0.104
Number of reflections	47081
<I/σ(I)>	8	6.3
Completeness [%]	99.9	99.9
Redundancy	7.2	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	30% PEG MME 2000, 0.1M Na Acetate, 0.2M Ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K