4TW8

The Fk1-Fk2 domains of FKBP52 in complex with iFit-FL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	45.654, 46.351, 310.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 3.003
R-factor	0.2122
Rwork	0.210
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q1c
RMSD bond length	0.006
RMSD bond angle	1.157
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP (10.2.35)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	155.032	46.351	3.170
High resolution limit [Å]	3.003	9.500	3.000
Rmerge		0.045	0.759
Rmeas	0.157
Rpim	0.062	0.020	0.357
Total number of observations	81673	3028	8503
Number of reflections	13725
<I/σ(I)>	10.2	26.9	2
Completeness [%]	97.8	99.2	91
Redundancy	6	5.8	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	28 % PEG-6000, 2 % DMSO and TrisHCl pH 8.0