4W8K

Crystal structure of a putative Cas1 enzyme from Vibrio phage ICP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-06-02
Detector	MAR scanner 300 mm plate
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	70.590, 83.320, 133.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.780 - 2.130
R-factor	0.1752
Rwork	0.174
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3god
RMSD bond length	0.003
RMSD bond angle	0.646
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.780	2.190
High resolution limit [Å]	2.130	2.130
Rmerge	0.069	0.623
Number of reflections	44744
<I/σ(I)>	27.1	2.9
Completeness [%]	99.5	98.3
Redundancy	14.6	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	25% PEG 3350, 0.01 M Phenol