9EU9

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-07-17
Detector	DECTRIS PILATUS3 S 2M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	48.896, 48.896, 194.925
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.381 - 1.800
Rwork	0.220
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.796
Data reduction software	autoXDS
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]	42.381	42.350	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.054	0.031	1.006
Rmeas	0.057	0.033	1.056
Rpim	0.018	0.011	0.319
Number of reflections	26175	276	1495
<I/σ(I)>	27.4
Completeness [%]	100.0
Redundancy	19	12.4	20.5
CC(1/2)	0.999	0.998	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	16% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5