9EUC

The FK1 domain of FKBP51 in complex with SAFit-analog 23b

This is a non-PDB format compatible entry.

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	2022-03-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.918400
Spacegroup name	P 32 2 1
Unit cell lengths	48.962, 48.962, 195.465
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.438 - 2.400
Rwork	0.251
R-free	0.27880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.573
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]	42.438	42.400	2.490
High resolution limit [Å]	2.400	8.980	2.400
Rmerge	0.052	0.032	0.287
Rmeas	0.058	0.036	0.320
Rpim	0.025	0.016	0.139
Number of reflections	11402	283	1181
<I/σ(I)>	25.2
Completeness [%]	100.0
Redundancy	10	7.5	9.8
CC(1/2)	0.999	0.998	0.963

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14% PEG3350, 0.2M sodium thiocyanate, 0.1M HEPES-NaOH pH 7.5 10% ethylene glycol