5B3U

Crystal structure of biliverdin reductase in complex with NADP+ from Synechocystis sp. PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-30
Detector	RAYONIX MX225HE
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	59.091, 85.562, 135.026
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.622 - 2.698
R-factor	0.225
Rwork	0.223
R-free	0.27060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5b3t
RMSD bond length	0.003
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.860
High resolution limit [Å]	2.698	2.700
Rmerge	0.123	0.664
Number of reflections	19500
<I/σ(I)>	15.3	3.47
Completeness [%]	99.8	99
Redundancy	10	10.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG4000, Tris-HCl (pH7.25), Sodium acetate, Cymal-2