8PJA

FKBP51FK1 F67E/K58 (i, i+9) 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	42.063, 48.541, 56.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.715 - 1.600
Rwork	0.186
R-free	0.21050
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.726
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]	42.060	42.060	1.630
High resolution limit [Å]	1.600	8.760	1.600
Rmerge	0.083	0.022	1.536
Rmeas	0.094	0.025	1.737
Rpim	0.043	0.011	0.801
Number of reflections	15660	126	760
<I/σ(I)>	14.9
Completeness [%]	99.7
Redundancy	8.5	6.8	8.7
CC(1/2)	0.999	1.000	0.527

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	32% PEG 3350, 0.2M NH4-acetate, 0.1 M HEPES-NaOH pH 7.5