5B4J

Crystal structure of I86D mutant of phycocyanobilin:ferredoxin oxidoreductase in complex with biliverdin (data 3)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-25
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.800
Spacegroup name	P 21 21 2
Unit cell lengths	70.823, 95.861, 42.378
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.050
Rwork	0.139
R-free	0.16770
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4qcd
RMSD bond length	0.015
RMSD bond angle	0.032
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]	56.970	1.090
High resolution limit [Å]	1.050	1.050
Rmerge		0.378
Number of reflections	134801
<I/σ(I)>	9.7
Completeness [%]	99.5	99.3
Redundancy	4.2	3.9

Crystallization Conditions

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