8PJ8

FKBP51FK1 F67E/K60Orn (i, i+7) in complex with SAFit1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-01-21
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.918400
Spacegroup name	P 21 21 21
Unit cell lengths	45.223, 48.369, 57.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.960 - 1.500
Rwork	0.184
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.794
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.220	45.220	1.530
High resolution limit [Å]	1.500	8.220	1.500
Rmerge	0.058	0.021	1.156
Rmeas	0.066	0.023	1.317
Rpim	0.030	0.010	0.621
Number of reflections	20120	155	947
<I/σ(I)>	18.7
Completeness [%]	97.6
Redundancy	8.5	7.4	8.2
CC(1/2)	0.999	1.000	0.729

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	30% PEG3350, 0.2M NH4-acetate, 0.1M HEPES-NaOH pH 7.5