5NJX

Human FKBP51 protein in complex with C-terminal peptide of Human HSP 90-alpha

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	2016-09-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 32 2 1
Unit cell lengths	92.160, 92.160, 132.010
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.000 - 2.490
R-factor	0.198
Rwork	0.195
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1kt0
RMSD bond length	0.008
RMSD bond angle	1.080
Data reduction software	XDS (May 1, 2016 BUILT=20160617)
Data scaling software	XSCALE (May 1, 2016 BUILT=20160617)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.000	2.550
High resolution limit [Å]	2.490	2.490
Rmerge	0.125	0.756
Number of reflections	280852	43
<I/σ(I)>	19.3	3.84
Completeness [%]	62.1	2.5
Redundancy	19.36	17
CC(1/2)	0.990	0.959

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	18 %w/v PEG MME 5K, 0.2 M NH4SO4, 0.1 M MES pH 6