9LYG

Crystal structure of FKBP12 complexed with Small Molecule Anchor for Protein-201

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	2025-02-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	31.577, 48.039, 65.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.700 - 1.260
R-factor	0.14889
Rwork	0.147
R-free	0.18808
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ppn
RMSD bond length	0.013
RMSD bond angle	1.913
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.700	1.280
High resolution limit [Å]	1.260	1.260
Rpim	0.161
Number of reflections	27488	1375
<I/σ(I)>	8.4
Completeness [%]	99.6
Redundancy	17.5
CC(1/2)		0.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.1 M Tris-HCl (pH8.0), 3.0 M Ammonium sulfate