6UHS

Open-form Crystal Structure of Chimera Bt-hRyR_12 from Bacteroides thetaiotaomicron /human

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-30
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97927
Spacegroup name	P 21 21 21
Unit cell lengths	49.816, 56.046, 89.041
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.470 - 2.460
R-factor	0.2304
Rwork	0.228
R-free	0.27650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4erv
RMSD bond length	0.003
RMSD bond angle	0.680
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.500
High resolution limit [Å]	2.460	6.670	2.460
Rmerge	0.119	0.090	0.575
Rmeas	0.137	0.104	0.688
Rpim	0.066	0.051	0.362
Total number of observations	36963
Number of reflections	9148	535	333
<I/σ(I)>	6.9
Completeness [%]	95.7	96.7	70
Redundancy	4	3.9	2.8
CC(1/2)		0.974	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	297	0.1 M Bis-Tris:HCl pH 5.5, 25% (w/v) PEG 3350