7DWC

Bacteroides thetaiotaomicron VPI5482 BTAxe1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-09-11
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97852
Spacegroup name	P 1 21 1
Unit cell lengths	73.796, 82.580, 81.534
Unit cell angles	90.00, 110.17, 90.00

Refinement procedure

Resolution	28.067 - 1.804
R-factor	0.1761
Rwork	0.174
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a6o
RMSD bond length	0.007
RMSD bond angle	0.891
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.800	5.160	1.900
Rmerge	0.100	0.062	0.574
Rmeas	0.109	0.068	0.630
Rpim	0.043	0.028	0.255
Number of reflections	83576	3667	3579
<I/σ(I)>	5.6
Completeness [%]	99.9	99.2	99.6
Redundancy	6.3	6	5.7
CC(1/2)		0.997	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	20% PEG 3350, 0.1M NaCl, 0.1M Tris pH 7.5