4H4S

Crystal Structure of Ferredoxin reductase, BphA4 E175C/Q177G mutant (reduced form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2011-06-19
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 61 2 2
Unit cell lengths	98.243, 98.243, 171.944
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.540 - 1.650
R-factor	0.2044
Rwork	0.203
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yvf
RMSD bond length	0.006
RMSD bond angle	1.146
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.080	1.740
High resolution limit [Å]	1.650	1.650
Number of reflections	59390
Completeness [%]	99.7	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	293	2.5M Sodium formate, 0.1M acetate buffer, pH 5.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K