4N19

Structural basis of conformational transitions in the active site and 80 s loop in the FK506 binding protein FKBP12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-14
Detector	PSI PILATUS 6M
Wavelength(s)	1.1
Spacegroup name	C 1 2 1
Unit cell lengths	71.369, 35.859, 41.240
Unit cell angles	90.00, 96.65, 90.00

Refinement procedure

Resolution	10.000 - 1.200
R-factor	0.1296
Rwork	0.126
R-free	0.18040
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2ppn
RMSD bond length	0.002
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7.3_928)
Refinement software	SHELX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.210
High resolution limit [Å]	1.200	1.200
Rmerge	0.060	0.338
Number of reflections	23793
<I/σ(I)>	48	2.4
Completeness [%]	80.0	6
Redundancy	5.7	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1