7S8D

Structure of DNA-free SgrAI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-03-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	70.110, 72.379, 78.640
Unit cell angles	90.00, 107.95, 90.00

Refinement procedure

Resolution	38.000 - 2.020
R-factor	0.2034
Rwork	0.202
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3DVO chain A
RMSD bond length	0.001
RMSD bond angle	0.432
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19_4080)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	2.097
High resolution limit [Å]	2.020	2.020
Rmerge	0.076	0.392
Rmeas	0.107	0.554
Rpim	0.076	0.392
Number of reflections	47684	4428
<I/σ(I)>	8.92	2.16
Completeness [%]	97.5	91.34
Redundancy	2	2
CC(1/2)	0.993	0.522

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	5% PEG 4000 0.1 M imidazole pH 6.5 0.1 M NaCl 5 mM Ca(0Ac)2