1HDO

Human biliverdin IX beta reductase: NADP 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	40.000, 49.200, 106.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.150
R-factor	0.124
R-free	0.15800
Structure solution method	SIRAS
RMSD bond length	0.015
RMSD bond angle	0.032
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.700	1.210
High resolution limit [Å]	1.150	1.150
Rmerge	0.042	0.188
Total number of observations	426976 *
Number of reflections	75534
<I/σ(I)>	11
Completeness [%]	99.9	100
Redundancy	5.7

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 TO 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)