6ZM9

PHAGE SAM LYASE IN COMPLEX WITH S-METHYL-5'-THIOADENOSINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-14
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9184
Spacegroup name	F 41 3 2
Unit cell lengths	154.324, 154.324, 154.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.530 - 1.450
R-factor	0.1344
Rwork	0.133
R-free	0.15460
Structure solution method	AB INITIO PHASING
RMSD bond length	0.008
RMSD bond angle	1.088
Data reduction software	XDS
Data scaling software	XDS
Phasing software	Arcimboldo
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.540	1.540
High resolution limit [Å]	1.448	1.450
Rmeas	0.152	0.862
Number of reflections	28596	8580
<I/σ(I)>	18.8	3.91
Completeness [%]	99.9	99.7
Redundancy	41.3	40.2
CC(1/2)	0.998	0.948

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.6 M Ammonium phosphate