3WGP

Crystal Structure Analysis of Vitamin D receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL40B2
Synchrotron site	SPring-8
Beamline	BL40B2
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	44.820, 51.390, 131.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.320 - 2.000
R-factor	0.1688
Rwork	0.167
R-free	0.20660
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.920
Data reduction software	MOSFLM
Data scaling software	SCALA (2.7.5)
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.910	32.910	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.060	0.042	0.202
Total number of observations		2366	11294
Number of reflections	21276
<I/σ(I)>	16.5	26.6	6.5
Completeness [%]	99.8	94.6	100
Redundancy	3.9	3.3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1