1HE4

Human biliverdin IX beta reductase: NADP/FMN ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Collection date	2000-05-15
Spacegroup name	P 21 21 21
Unit cell lengths	40.100, 49.300, 106.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.400
R-factor	0.134
R-free	0.18000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hdo
RMSD bond length	0.008
RMSD bond angle	0.023
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.700	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.054	0.182
Total number of observations	255020 *
Number of reflections	42072
<I/σ(I)>	7.7
Completeness [%]	98.9	95
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5		30% PEG 3350, 0.2 M AMMONIUM SULFATE, 0.1 M SODIUM CACODYLATE PH 6.5. NADP ADDED TO A FINAL CONCENTRATION OF 2.5 MM

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.7 (mg/ml)
2	1	drop	NADP	2.5 (mM)
3	1	drop	PEG8000	5 (%(w/v))
4	1	drop	ammonium sulfate	0.03 (M)
5	1	drop	sodium cacodylate	0.02 (M)