1LC3

Crystal Structure of a Biliverdin Reductase Enzyme-Cofactor Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-12-13
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	51.780, 76.140, 75.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.500
Rwork	0.214
R-free	0.23800 *
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	22.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.072 *	0.389 *
Total number of observations	131242 *
Number of reflections	47157
Completeness [%]	97.2	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	4 *	2.0 M Na+/K+ phosphate, 100 mM CAPS, 200 mM lithium sulfate (Emerald Screen Wizard-I condition 27), pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.5 (mg/ml)
2	1	reservoir	sodium potassium phosphate	2.0 (M)
3	1	reservoir	CAPS	100 (mM)	pH10.5
4	1	reservoir	lithium sulfate	200 (mM)