9M1C

Vitamin D receptor complex with a triphenylpropylsilane derivative

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-07-27
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8
Spacegroup name	C 1 2 1
Unit cell lengths	155.210, 42.510, 42.330
Unit cell angles	90.00, 95.36, 90.00

Refinement procedure

Resolution	38.630 - 1.670
R-factor	0.1702
Rwork	0.169
R-free	0.20100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zlc
RMSD bond length	0.011
RMSD bond angle	1.031
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.140	1.750
High resolution limit [Å]	1.670	1.670
Rmerge	0.053	0.748
Number of reflections	32166	1650
<I/σ(I)>	20.6	2.4
Completeness [%]	100.0	99.5
Redundancy	9.5
CC(1/2)	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, DL-Malic acid, pH 7.0