9GPM

The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog 12c/i

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	2023-05-20
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.918400
Spacegroup name	P 32 2 1
Unit cell lengths	49.078, 49.078, 194.169
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.539 - 1.550
Rwork	0.200
R-free	0.24490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.771
Data reduction software	autoXDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.82))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.540	48.540	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.037	0.020	1.499
Rmeas	0.041	0.022	1.650
Rpim	0.017	0.009	0.685
Number of reflections	40705	318	1992
<I/σ(I)>	24.1	76.8	1.6
Completeness [%]	100.0	98.9	100
Redundancy	10.6	8.6	11
CC(1/2)	1.000	1.000	0.548

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, 10% glycol