1PDU

Ligand-binding domain of Drosophila orphan nuclear receptor DHR38

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	93
Detector technology	CCD
Collection date	2002-08-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792, 0.9742, 0.9840
Spacegroup name	P 21 21 21
Unit cell lengths	78.379, 82.231, 84.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.300
Rwork	0.210
R-free	0.24000 *
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.110
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.440
High resolution limit [Å]	2.300	2.300
Rmerge	0.075 *
Total number of observations	189296 *
Number of reflections	23421
Completeness [%]	94.6	82.6
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	296	0.1 M HEPES, pH 7.5, 1.5 M Lithium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 296K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2-4 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH8.0
3	1	drop		500 (mM)
4	1	drop	EDTA	1 (mM)
5	1	drop	dithiothreitol	5 (mM)
6	1	drop	nervonic acid	1 (mM)
7	1	reservoir	HEPES	0.1 (M)	pH7.5
8	1	reservoir	lithium sulfate	1.5 (M)