9M15

Vitamin D receptor complex with a dimethyldi(o-tolyl)silane derivative

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	152.660, 44.670, 42.060
Unit cell angles	90.00, 95.83, 90.00

Refinement procedure

Resolution	42.855 - 2.180
R-factor	0.1944
Rwork	0.193
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zlc
RMSD bond length	0.004
RMSD bond angle	0.804
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]	42.860	2.310
High resolution limit [Å]	2.180	2.180
Rmerge	0.430	2.240
Number of reflections	14961	2353
<I/σ(I)>	10.52	1.85
Completeness [%]	100.0	100
Redundancy	14.2
CC(1/2)	0.993	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Magnesium acetate tetrahydrate, pH 7.9