2IVF

Ethylbenzene dehydrogenase from Aromatoleum aromaticum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	112.532, 67.324, 114.765
Unit cell angles	90.00, 111.30, 90.00

Refinement procedure

Resolution	46.420 - 1.880
R-factor	0.15
Rwork	0.148
R-free	0.18300
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.642
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MLPHARE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.880	1.880
Rmerge	0.100	0.380
Number of reflections	127864
<I/σ(I)>	8.8	2.8
Completeness [%]	98.0	80.7
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1