7QPP

High resolution structure of human VDR ligand binding domain in complex with calcitriol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-05-02
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	44.926, 51.317, 132.317
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.800 - 1.520
R-factor	0.1416
Rwork	0.139
R-free	0.16620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1db1
RMSD bond length	0.011
RMSD bond angle	1.268
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.100	1.560
High resolution limit [Å]	1.520	1.520
Rmerge		0.122
Number of reflections	46307	46136
<I/σ(I)>	20.7	9.8
Completeness [%]	96.2	66.6
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	Ammonium Sulfate, pH 6.0