5FCL

Crystal structure of Cas1 from Pectobacterium atrosepticum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	261.359, 164.065, 78.685
Unit cell angles	90.00, 90.09, 90.00

Refinement procedure

Resolution	46.320 - 2.700
Rwork	0.188
R-free	0.23200
Data scaling software	Aimless (0.5.2)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.10.1-2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.320	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.127	0.619
Rpim		0.400
Total number of observations		15274
Number of reflections	86942
<I/σ(I)>	6	1.6
Completeness [%]	95.8	97
Redundancy	3.3	3.3
CC(1/2)	0.989	0.651

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	291	100 mM Tris-HCl pH 8.6, 10% PEG6000, 0.1 mM SrCl2