6KOS

Crystal structure of SUWA (Super WA20), a hyper-stable de novo protein with a dimeric bisecting topology

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	95
Detector technology	CCD
Collection date	2016-02-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	65.636, 71.930, 81.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.230 - 2.000
R-factor	0.226
Rwork	0.223
R-free	0.28370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vjf
RMSD bond length	0.007
RMSD bond angle	1.341
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MR-Rosetta
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.047	0.021	0.629
Rmeas	0.050	0.022	0.679
Rpim	0.019	0.009	0.252
Number of reflections	26639	2774	2613
<I/σ(I)>	14.9	77.7	2.77
Completeness [%]	99.6	96.7	100
Redundancy	7.1	6.7	7.1
CC(1/2)		1.000	0.867

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293.15	0.1M HEPES, 25% w/v Polyethylene glycol 3350