6TXX

CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2

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	2016-03-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000030
Spacegroup name	P 32 2 1
Unit cell lengths	48.294, 48.294, 186.883
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.170 - 2.100
R-factor	0.1924
Rwork	0.190
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5q
RMSD bond length	0.008
RMSD bond angle	1.050
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.290	2.107
High resolution limit [Å]	2.100	2.100
Rmerge	0.148	1.044
Rmeas	0.156	1.106
Rpim	0.051	0.362
Number of reflections	15619	120
<I/σ(I)>	12.8	2.1
Completeness [%]	100.0	97.6
Redundancy	9.2	9.4
CC(1/2)	0.998	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	28-43% PEG3350, 0.2M NH4OAc, 0.1M HEPES