6TX8

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

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	2015-10-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.999860
Spacegroup name	P 21 21 21
Unit cell lengths	42.399, 54.470, 56.768
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.970 - 1.200
R-factor	0.1291
Rwork	0.129
R-free	0.15540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5q
RMSD bond length	0.018
RMSD bond angle	1.396
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.470	1.208
High resolution limit [Å]	1.200	1.204
Rmerge	0.046	0.747
Rpim	0.020	0.325
Number of reflections	41492	418
<I/σ(I)>	17.2	2.1
Completeness [%]	100.0	100
Redundancy	6.3	6.3
CC(1/2)	1.000	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293.15	28-41% PEG3350, 0.2 M NH4OAc, 0.1 M HEPES