3AZ3

Crystal Structure Analysis of Vitamin D receptor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32B2
Synchrotron site	SPring-8
Beamline	BL32B2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-02-01
Detector	RIGAKU RAXIS
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	44.320, 52.222, 131.946
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.082 - 1.360
R-factor	0.2259
Rwork	0.225
R-free	0.24320
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.010
RMSD bond angle	0.990
Data reduction software	MOSFLM
Data scaling software	SCALA (2.7.5)
Refinement software	BUSTER-TNT (BUSTER 2.9.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.110	26.111	1.440
High resolution limit [Å]	1.360	4.310	1.360
Rmerge	0.075	0.011	0.011
Total number of observations		5678	1453
Number of reflections	39684
<I/σ(I)>	8.9	20.7	0.6
Completeness [%]	59.9	89.1	10.7
Redundancy	2.5	2.8	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop			hanging drop