5F66

High-resolution isotropic multiconformer synchrotron model of CypA at 273 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	273
Detector technology	PIXEL
Collection date	2013-06-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97945
Spacegroup name	P 21 21 21
Unit cell lengths	42.910, 52.440, 89.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.560 - 1.150
R-factor	0.1793
Rwork	0.179
R-free	0.19500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4yuo
RMSD bond length	0.007
RMSD bond angle	1.157
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.560	1.180
High resolution limit [Å]	1.150	1.150
Rmerge	0.120	0.581
Number of reflections	68210
<I/σ(I)>	9.9	2.1
Completeness [%]	94.8	86
Redundancy	5.8	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	CRYSTALS WERE GROWN BY MIXING EQUAL VOLUMES OF WELL SOLUTION (100 MM HEPES PH 7.5, 23% PEG 3350, 5 MM TCEP) AND PROTEIN (60 MG/ML IN 20 MM HEPES PH 7.5, 100 MM NACL, 0.5 MM TCEP) IN THE HANGING-DROP FORMAT.