4YUG

Multiconformer synchrotron model of CypA at 100 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
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	42.240, 51.910, 88.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.085 - 1.480
R-factor	0.1343
Rwork	0.133
R-free	0.18330
RMSD bond length	0.008
RMSD bond angle	1.163
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]	38.085	1.530
High resolution limit [Å]	1.480	1.480
Rmerge	0.068	0.994
Number of reflections	32657
<I/σ(I)>	14.07	1.57
Completeness [%]	99.0	100
Redundancy	4.9	4.9

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.