4Y9D

Crystal structure of LigD in complex with NADH from Sphingobium sp. strain SYK-6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.00000
Spacegroup name	P 31 2 1
Unit cell lengths	61.762, 61.762, 134.713
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.712 - 2.012
R-factor	0.2147
Rwork	0.211
R-free	0.24850
RMSD bond length	0.008
RMSD bond angle	1.003
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.010
Number of reflections	19774
<I/σ(I)>	26.1
Completeness [%]	96.5
Redundancy	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1M Hepes pH7.5, 1.5 M Lithium Sulfate