6RYZ

SalL with S-adenosyl methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-04-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.91587
Spacegroup name	P 21 21 21
Unit cell lengths	50.928, 110.996, 163.997
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.000 - 1.500
R-factor	0.17989
Rwork	0.179
R-free	0.20324
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q6i
RMSD bond length	0.012
RMSD bond angle	1.717
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.000	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.120	0.810
Rpim	0.070	0.470
Number of reflections	149433	10925
<I/σ(I)>	8.7	2
Completeness [%]	100.0	100
Redundancy	7.9	7.6
CC(1/2)	1.000	0.530

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.1 M HEPES pH 7; 20% PEG 6000; 0.2 M CaCl2