9M1B

Vitamin D receptor complex with a diphenydipropylsilane 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	2024-05-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	154.790, 42.370, 42.280
Unit cell angles	90.00, 96.38, 90.00

Refinement procedure

Resolution	42.020 - 1.770
R-factor	0.1943
Rwork	0.193
R-free	0.21270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2zlc
RMSD bond length	0.004
RMSD bond angle	0.675
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]	42.030	1.880
High resolution limit [Å]	1.770	1.770
Rmerge	0.107	3.600
Number of reflections	26417	4277
<I/σ(I)>	13.8	1.13
Completeness [%]	98.4	97.2
Redundancy	10.5
CC(1/2)	0.999	0.717

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG 3350, Cesium chloride