9G4O

The strucuture of Streptococcus pyogenes GacA in complex with a fragment

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.98
Spacegroup name	P 1
Unit cell lengths	36.155, 45.702, 48.440
Unit cell angles	113.30, 99.54, 95.01

Refinement procedure

Resolution	43.410 - 1.550
R-factor	0.1842
Rwork	0.182
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.995
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.411	1.810
High resolution limit [Å]	1.545	1.545
Number of reflections	21968	1098
<I/σ(I)>	5.4
Completeness [%]	79.8
Redundancy	3.1
CC(1/2)	0.934	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	12.5% w/v PEG 1000, 12.5% w/v PEG 3350, 12.5% v/v MPD, 0.02 M carboxylic acid (0.2 M sodium formate, 0.2 M ammonium acetate, 0.2 M trisodium citrate, 0.2 M sodium potassium L-tartrate, 0.2 M sodium oxamate), 0.1 M MES/imidazole pH 6.5