4YUM

Multiconformer synchrotron model of CypA at 300 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	300
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	43.010, 52.610, 89.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.666 - 1.500
R-factor	0.1095
Rwork	0.108
R-free	0.14370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cpl
RMSD bond length	0.009
RMSD bond angle	1.136
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]	22.670	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.047	1.017
Number of reflections	32999
<I/σ(I)>	16.9	1.63
Completeness [%]	99.0	100
Redundancy	4.4	4.4

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.