8JK5

Crystal structure of SP1746 from Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4)

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	2021-12-09
Detector	DECTRIS PILATUS 200K
Wavelength(s)	0.97915
Spacegroup name	P 32 2 1
Unit cell lengths	69.051, 69.051, 88.266
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.800 - 1.700
R-factor	0.19094
Rwork	0.190
R-free	0.21608
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.242
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.800	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	25426	1436
<I/σ(I)>	41.2
Completeness [%]	92.9
Redundancy	18.4
CC(1/2)	1.000	0.961

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		287.15	25% PEG4000, 0.15 M (NH4)2SO4, 0.1 M MES, pH 5.5