8CX8

Stx2A1-BTB13086

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	71.633, 78.622, 87.337
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.279 - 1.905
R-factor	0.1789
Rwork	0.177
R-free	0.20520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6x6h
RMSD bond length	0.006
RMSD bond angle	0.747
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.122	0.047	1.251
Rmeas	0.136	0.052	1.429
Rpim	0.060	0.021	0.676
Total number of observations	193882
Number of reflections	38250	2103	1844
<I/σ(I)>	6.4
Completeness [%]	98.6	99.3	96.6
Redundancy	5.1	5.9	4.2
CC(1/2)		0.997	0.286

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	100 mM MES pH 6.5 and magnesium sulfate 1.6 M