9M13

Vitamin D receptor complex with a dimethyldiphenylsilane derivative

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-21
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	124.699, 44.798, 46.786
Unit cell angles	90.00, 100.19, 90.00

Refinement procedure

Resolution	46.050 - 1.680
R-factor	0.1711
Rwork	0.170
R-free	0.19780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zlc
RMSD bond length	0.005
RMSD bond angle	0.730
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]	46.050	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.049	0.697
Number of reflections	29249	1494
<I/σ(I)>	13.6	1.7
Completeness [%]	99.8
Redundancy	3.4
CC(1/2)	0.998	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Sodium malonate, pH 6.