8X89

Crystal Structure of Streptococcus pneumoniae fabG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-15
Detector	DECTRIS EIGER R 1M
Wavelength(s)	0.979183
Spacegroup name	P 21 21 21
Unit cell lengths	68.190, 126.084, 128.136
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.780 - 1.990
R-factor	0.2134
Rwork	0.213
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.437
Data reduction software	autoPROC (v1.0)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	128.140	35.780
High resolution limit [Å]	1.420	1.420
Rmerge		0.212
Rmeas		0.230
Number of reflections	147555	76536
<I/σ(I)>	5	9.7
Completeness [%]	71.2
Redundancy	9.6
CC(1/2)	0.966	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	1:1 mixing condition of 15mg/mL protein with 0.1M Acetate pH 4.5 and 40% (v/v) 1,2-propanediol