9EU7

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

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	47.923, 47.923, 160.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.500 - 2.210
Rwork	0.192
R-free	0.27380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	2.557
Data reduction software	XDS
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]	41.500	41.500	2.280
High resolution limit [Å]	2.210	9.110	2.210
Rmerge	0.188	0.082	1.105
Rmeas	0.221	0.096	1.334
Rpim	0.115	0.048	0.736
Number of reflections	11397	213	968
<I/σ(I)>	6.3
Completeness [%]	99.9
Redundancy	6.4	5.1	5.8
CC(1/2)	0.991	0.991	0.549

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14% PEG3350, 0.2M ammonium acetate, 0.1M HEPES-NaOH pH 7.5