8T28

The crystal structure of SrtC2 sortase from Actinomyces oris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-12-16
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9792
Spacegroup name	P 62 2 2
Unit cell lengths	90.390, 90.390, 101.704
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.240 - 2.100
R-factor	0.16861
Rwork	0.167
R-free	0.20098
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.591
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0349)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.240	45.240	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.124	0.049	1.156
Rmeas	0.127	0.050	1.257
Rpim	0.027	0.011	0.461
Number of reflections	14868	861	702
<I/σ(I)>	5.4		1.08
Completeness [%]	99.7	99.9	96.8
Redundancy	20.2	21.5	6.7
CC(1/2)	0.998	1.000	0.504

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	277	0.2 M Sodium Chloride, 0.1 M Na2HPO4:Citric Acid, 20% (w/v) PEG 8000