4TTL

Racemic structure of cyclic Vc1.1 (cVc1.1-1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-06
Detector	RIGAKU SATURN 944
Wavelength(s)	1.5418
Spacegroup name	P b c a
Unit cell lengths	30.256, 20.706, 38.236
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.118 - 1.700
R-factor	0.1931
Rwork	0.189
R-free	0.22590
RMSD bond length	0.007
RMSD bond angle	1.101
Data reduction software	CrystalClear
Data scaling software	SCALEPACK
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.120	1.760
High resolution limit [Å]	1.700	1.700
Rmerge		0.391
Number of reflections	2551
<I/σ(I)>	11.6	2.3
Completeness [%]	100.0	100
Redundancy	6.73	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.0 M HEPES pH 7.5, 0.86 M ammonium sulfate