6TX9

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

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	2016-07-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.033200
Spacegroup name	P 21 21 21
Unit cell lengths	42.233, 54.418, 56.730
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.450 - 1.420
R-factor	0.162
Rwork	0.162
R-free	0.18700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o5q
RMSD bond length	0.010
RMSD bond angle	1.170
Data reduction software	XDS (May 1, 2016)
Data scaling software	Aimless
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.730	1.440
High resolution limit [Å]	1.415	1.415
Rmerge	0.048	0.662
Rpim	0.021	0.284
Number of reflections	25620	1252
<I/σ(I)>	19.6	2.3
Completeness [%]	100.0	98.7
Redundancy	6.4

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