4QDL

Crystal structure of E.coli Cas1-Cas2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0010
Spacegroup name	P 1 21 1
Unit cell lengths	92.764, 127.402, 96.640
Unit cell angles	90.00, 100.89, 90.00

Refinement procedure

Resolution	47.449 - 2.700
R-factor	0.2302
Rwork	0.227
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nkd 4mak
RMSD bond length	0.007
RMSD bond angle	0.996
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (6.0)
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.987	47.987	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.017	0.695
Total number of observations		7218	33861
Number of reflections	60631
<I/σ(I)>	11.5	24	1.1
Completeness [%]	100.0	99.5	100
Redundancy	3.8	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Crystallization buffer was 0.1M Tris-HCl, pH 8.5, 3% (w/v) PEG8000, 6% (v/v) ethylene glycol , VAPOR DIFFUSION, SITTING DROP, temperature 291K