4EMJ

Complex between the reductase and ferredoxin components of toluene dioxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-11
Detector	RAYONIX MX-225
Wavelength(s)	0.91841
Spacegroup name	P 65
Unit cell lengths	120.290, 120.290, 60.420
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.070 - 2.400
R-factor	0.172
Rwork	0.169
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.660
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.2_432))

Data quality characteristics

	Overall
Low resolution limit [Å]	33.000
High resolution limit [Å]	2.400
Number of reflections	19644
Completeness [%]	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	292	20% (w/v) polyethylene glycol monomethyl ether 5,000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K