4YUI

Multiconformer synchrotron model of CypA at 180 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	180
Detector technology	CCD
Collection date	2012-03-04
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9767
Spacegroup name	P 21 21 21
Unit cell lengths	42.420, 51.960, 88.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	16.995 - 1.380
R-factor	0.1342
Rwork	0.133
R-free	0.17470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpl
RMSD bond length	0.008
RMSD bond angle	1.229
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	16.995	1.430
High resolution limit [Å]	1.380	1.380
Rmerge	0.042	0.718
Number of reflections	39548
<I/σ(I)>	16.47	1.64
Completeness [%]	97.0	95
Redundancy	3.9	3

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.