1E1L

STRUCTURE OF ADRENODOXIN REDUCTASE IN COMPLEX WITH NADP obtained by cocrystallisation

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
Detector technology	IMAGE PLATE
Collection date	1999-04-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	59.500, 62.800, 85.300
Unit cell angles	90.00, 108.20, 90.00

Refinement procedure

Resolution	15.000 - 2.300
Rwork	0.219
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cjc
RMSD bond length	0.016
RMSD bond angle	2.900 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.700	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.070	0.364
Number of reflections	28171
<I/σ(I)>	8.7	3.4
Completeness [%]	98.7	99.1
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5	20 *	DROPLET: 4 MG/ML PROTEIN, 8% PEG8000, 5% GLYCEROL, 100 MM CALCIUM ACETATE, 50 MM SODIUM-CACODYLATE PH 6.5. RESERVOIR: 12 % PEG8000, 100 MM CALCIUM ACETATE, 50 MM SODIUM CACODYLATE PH 6.5, 0.05 MM NADP+.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	glycerol	5 (%)
3	1	drop	PEG8000	8 (%(w/v))
4	1	drop	sodium cacodylate	50 (mM)	Buffer C
5	1	drop	calcium acetate	100 (mM)	BufferC
6	1	reservoir	Buffer C
7	1	reservoir	PEG8000	12 (%(w/v))