9EU8

The FK1 domain of FKBP51 in complex with SAFit-analog 15h

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	48.293, 48.293, 186.026
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.858 - 2.300
Rwork	0.233
R-free	0.25950
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.902
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.510	46.510	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.144	0.111	1.284
Rmeas	0.160	0.123	1.424
Rpim	0.069	0.052	0.611
Number of reflections	11940	269	1130
<I/σ(I)>	7.5
Completeness [%]	100.0
Redundancy	9.6	8	10.1
CC(1/2)	0.995	0.994	0.696

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	12% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5