8CCA

The Fk1 domain of FKBP51 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	2019-06-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.918400
Spacegroup name	P 21 21 21
Unit cell lengths	45.625, 48.493, 57.474
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.091 - 1.330
Rwork	0.165
R-free	0.20070
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.916
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.091	37.060	1.350
High resolution limit [Å]	1.330	7.160	1.330
Rmerge	0.051	0.028	0.924
Rmeas	0.062	0.033	1.185
Rpim	0.034	0.017	0.730
Number of reflections	29884	241	1461
<I/σ(I)>	12.1
Completeness [%]	99.7
Redundancy	5.8	5.7	4.2
CC(1/2)	0.996	0.998	0.585

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG3350, 0.1 M HEPES pH 7.5, 0.2 M ammonium acetate