8YXV

Toxin-antitoxin complex from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2021-07-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	C 1 2 1
Unit cell lengths	193.782, 63.402, 149.556
Unit cell angles	90.00, 128.80, 90.00

Refinement procedure

Resolution	36.760 - 2.690
R-factor	0.2219
Rwork	0.220
R-free	0.25860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3oei
RMSD bond length	0.003
RMSD bond angle	0.591
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.690	2.700
Number of reflections	38963	1938
<I/σ(I)>	29.6	2
Completeness [%]	98.8	98.8
Redundancy	4.8
CC(1/2)	0.994	0.805

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	ammonium sulfate,CHES/ sodium hydroxide, pH 9.5, sodium chloride