9DDY

The Crystal Structure of Geranyltranstransferase from Streptococcus pneumoniae TIGR4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97936
Spacegroup name	P 21 21 21
Unit cell lengths	51.643, 101.496, 119.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.730 - 2.320
R-factor	0.2113
Rwork	0.209
R-free	0.25360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.444
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.320	2.320
Rmerge	0.111	0.909
Rmeas	0.122	1.011
Rpim	0.049	0.436
Number of reflections	28000	1383
<I/σ(I)>	12.5	1.04
Completeness [%]	100.0	100
Redundancy	6	5.2
CC(1/2)	0.997	0.570

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	286	0.2 M Sodium chloride, 0.1 M BIS-TRIS, 25%w/v Polyethylene glycol 3,350