9VOG

Vitamin D receptor complex with a 5-{4-(m-carboran-1-yl)phenoxy}-4-hydroxypentanoic acid 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	2024-07-17
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.8
Spacegroup name	C 1 2 1
Unit cell lengths	154.680, 42.360, 42.220
Unit cell angles	90.00, 96.16, 90.00

Refinement procedure

Resolution	38.630 - 1.430
R-factor	0.1915
Rwork	0.190
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.196
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.630	1.520
High resolution limit [Å]	1.430	1.430
Rmerge	0.060
Number of reflections	50500	8398
<I/σ(I)>	17.5	0.64
Completeness [%]	100.0
Redundancy	11.9
CC(1/2)	1.000	0.598

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M Sodium citrate tribasic dihydrate, 0.2M Potassium citrate tribasic monohydrate pH 8.3, 20% w/v PEG 3350