5V8C

LytR-Csp2A-Psr enzyme from Actinomyces oris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	40.850, 69.070, 82.010
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.830 - 2.510
R-factor	0.223
Rwork	0.221
R-free	0.27200
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.930
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.830	52.830	2.570
High resolution limit [Å]	2.510	11.200	2.510
Rmerge	0.051	0.045	1.014
Rmeas	0.056	0.050	1.105
Number of reflections	8332	112	572
<I/σ(I)>	16.37	37.04	1.58
Completeness [%]	98.9	94.1	93.5
Redundancy	6.354	5.152	6.309
CC(1/2)	0.998	0.997	0.756

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1M sodium citrate pH 5.5, 25% PEG4000, 20% 2-propanol, 5 mM DTT, 200 mM NaCl, 5 mM MgCl2