7YZX

ScpA from Streptococcus pyogenes, D783A mutant.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	110
Detector technology	PIXEL
Collection date	2020-02-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96864
Spacegroup name	P 63 2 2
Unit cell lengths	169.417, 169.417, 141.830
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.000 - 1.900
R-factor	0.1999
Rwork	0.198
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eif
RMSD bond length	0.003
RMSD bond angle	0.621
Data reduction software	XDS (Jan 31, 2020)
Data scaling software	XDS (Jan 31, 2020)
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.230	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.145	4.470
Rmeas	0.151	4.639
Rpim	0.040	1.206
Number of reflections	93718	9050
<I/σ(I)>	12.34	0.55
Completeness [%]	99.7	97.88
Redundancy	14	13.3
CC(1/2)	0.999	0.188

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.4 M ammonium sulfate and 0.2 M Tris/HCl pH 7.4-7.8