5B4I

Crystal structure of I86D mutant of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin (data 2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-24
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.8000
Spacegroup name	P 21 21 2
Unit cell lengths	70.833, 95.691, 42.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.110
Rwork	0.127
R-free	0.15250
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4qcd
RMSD bond length	0.017
RMSD bond angle	0.034
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.940	1.150
High resolution limit [Å]	1.100	1.100
Rmerge		0.363
Number of reflections	114063
<I/σ(I)>	15.1
Completeness [%]	99.3	98.6
Redundancy	6	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	sodium citrate, sodium chloride, Tris