4OW4

Beta-trefoil designed by folding nucleus symmetric expansion ("Phifoil")

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-08-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.541
Spacegroup name	P 21 21 21
Unit cell lengths	52.861, 68.634, 76.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.151 - 2.148
R-factor	0.2312
Rwork	0.229
R-free	0.26750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.937
Refinement software	PHENIX ((phenix.refine: dev_1606))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.210
High resolution limit [Å]	2.150	4.920	2.150
Rmerge	0.080	0.064	0.196
Total number of observations	27752
Number of reflections	12829
<I/σ(I)>	12.6
Completeness [%]	81.7	71.5	86.9
Redundancy	2.2	2.4	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	800 mM Ammonium Sulfate, 100 mM Citric Acid, pH 4.0