6YF3

FKBP12 in complex with the BMP potentiator compound 10 at 1.00A resolution

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	2015-02-21
Detector	PSI PILATUS 6M
Wavelength(s)	0.99993
Spacegroup name	P 42 21 2
Unit cell lengths	57.279, 57.279, 54.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.500 - 1.000
R-factor	0.1574
Rwork	0.157
R-free	0.15820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dh0
RMSD bond length	0.008
RMSD bond angle	1.362
Data reduction software	XDS
Data scaling software	Aimless (0.3.3)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0063)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.300	1.070
High resolution limit [Å]	1.000	1.000
Rmerge	0.049	0.406
Rmeas	0.052	0.471
Rpim	0.015	0.229
Total number of observations	496239	19309
Number of reflections	45824	5242
<I/σ(I)>	27.2	3.1
Completeness [%]	94.0	68.2
Redundancy	10.8	3.7
CC(1/2)	0.999	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	2.2 M AmSO4, 0.2 M CdCl2