1SNE

An Oligomeric Domain-Swapped Beta-Beta-Alpha Mini-Protein

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.978031, 0.97902, 0.949320
Spacegroup name	C 1 2 1
Unit cell lengths	57.912, 21.325, 31.896
Unit cell angles	90.00, 121.32, 90.00

Refinement procedure

Resolution	27.250 - 1.500
R-factor	0.169
Rwork	0.169
R-free	0.18300
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.035	0.085
Number of reflections	7811
<I/σ(I)>	33.6	7.1
Completeness [%]	74.4	16.1
Redundancy	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	100 mM HEPES-Na, 10% v/v i-propanol, 20% w/v PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K