2BGK

X-Ray structure of apo-Secoisolariciresinol Dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Spacegroup name	C 2 2 21
Unit cell lengths	107.340, 133.560, 69.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.600
R-factor	0.197
Rwork	0.197
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nff
RMSD bond length	0.010
RMSD bond angle	2.700
Data reduction software	HKL-2000
Data scaling software	CrystalClear
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.700
High resolution limit [Å]	1.600	1.600
Rmerge	0.040	0.240
Number of reflections	93528
<I/σ(I)>	12.1	3.5
Completeness [%]	99.7	99.7
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		pH 8.50