8YZG

Antitoxin protein from S. pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.899995
Spacegroup name	P 41 21 2
Unit cell lengths	37.273, 37.273, 89.802
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.430 - 1.400
R-factor	0.2162
Rwork	0.215
R-free	0.23580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.842
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.480
High resolution limit [Å]	1.400	1.400
Number of reflections	23751	3673
<I/σ(I)>	49.81
Completeness [%]	99.1
Redundancy	13.036
CC(1/2)	0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	PEG