6JUV

Crytsal structure of ScpB derived from Pyrococcus yayanosii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-07-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 41 2 2
Unit cell lengths	92.300, 92.300, 111.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	92.300 - 3.043
R-factor	0.2387
Rwork	0.236
R-free	0.26490
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.495
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.300	3.250
High resolution limit [Å]	3.040	3.040
Rmerge	0.171	0.386
Rmeas	0.172	0.387
Rpim	0.017	0.035
Number of reflections	9802	1721
<I/σ(I)>	34.3	20.2
Completeness [%]	100.0	100
Redundancy	113.1	118.9
CC(1/2)	0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	35% (v/v) pentaerythritol propoxylate (5/4 PO/OH), 0.1M MES (pH 5.5), 0.4M sodium chloride
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	35% (v/v) pentaerythritol propoxylate (5/4 PO/OH), 0.1M MES (pH 5.5), 0.4M sodium chloride