4P1C

CRYSTAL STRUCTURE OF THE TOLUENE 4-MONOOXYGENASE HYDROXYLASE-FERREDOXIN C7S, C84A, C85A VARIANT ELECTRON-TRANSFER COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-22
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	95.227, 106.353, 213.418
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.690 - 2.400
R-factor	0.156
Rwork	0.153
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dhg
RMSD bond length	0.008
RMSD bond angle	1.077
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: DEV_1184))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.690	2.430
High resolution limit [Å]	2.400	2.400
Number of reflections	81284
<I/σ(I)>	12.4	2
Completeness [%]	94.6	93
Redundancy	6	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	100 MM MOPS/HEPES, 20% PEG 3350, 5% JEFFAMINE 200 MM AMMONIUM CHLORIDE, 10 MM MGCL2, PH 7.5, VAPOR DIFFUSION, TEMPERATURE 292K