2EHD

Crystal Structure Analysis of Oxidoreductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-07
Detector	MAR CCD 165 mm
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	104.020, 104.020, 105.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
R-factor	0.229
Rwork	0.226
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hsd
RMSD bond length	0.006
RMSD bond angle	1.172
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.065	0.698
Number of reflections	30198
<I/σ(I)>	37.1	2.9
Completeness [%]	100.0	100
Redundancy	13.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.8M ammonium sulfate, 0.1M MES, 10mM cobalt dichloride, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K