4YUO

High-resolution 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	42.900, 52.430, 89.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.188 - 1.200
R-factor	0.1277
Rwork	0.127
R-free	0.14630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpl
RMSD bond length	0.009
RMSD bond angle	1.155
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.188	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.112	0.204
Number of reflections	58118
<I/σ(I)>	10.99	5.93
Completeness [%]	91.0	82
Redundancy	5.3	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		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.