6RZ2

SalL with Chloroadenosine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-11-24
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976230
Spacegroup name	P 21 21 21
Unit cell lengths	50.842, 111.579, 165.565
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.470 - 1.770
R-factor	0.17219
Rwork	0.171
R-free	0.20148
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2q6i
RMSD bond length	0.011
RMSD bond angle	1.673
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]	49.470	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.080	0.780
Rpim	0.050	0.430
Number of reflections	92806	4561
<I/σ(I)>	15.7	2.6
Completeness [%]	100.0	100
Redundancy	8	8.2
CC(1/2)	0.990	0.830

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