9M1D

Vitamin D receptor complex with a methyldiphenylpropylsilane 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	154.850, 42.210, 42.250
Unit cell angles	90.00, 95.83, 90.00

Refinement procedure

Resolution	38.580 - 1.440
R-factor	0.1799
Rwork	0.179
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zlc
RMSD bond length	0.009
RMSD bond angle	1.027
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]	38.590	1.530
High resolution limit [Å]	1.440	1.440
Rmerge	0.111
Number of reflections	49004	8052
<I/σ(I)>	12.18	0.63
Completeness [%]	99.1	98.3
Redundancy	12.7
CC(1/2)	0.999	0.611

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Lithium citrate tribasic tetrahydrate, pH 8.4