1HE2

Human biliverdin IX beta reductase: NADP/biliverdin IX alpha ternary complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Collection date	1999-11-15
Spacegroup name	P 21 21 21
Unit cell lengths	40.200, 49.200, 106.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.200
R-factor	0.122
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hdo
RMSD bond length	0.014
RMSD bond angle	0.033
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	1.260
High resolution limit [Å]	1.200	1.200
Rmerge	0.042	0.188
Total number of observations	281481 *
Number of reflections	65438
<I/σ(I)>	10.2
Completeness [%]	97.5	97.6
Redundancy	4.3

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)