3C0W

I-SceI in complex with a bottom nicked DNA substrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	93
Detector technology	CCD
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	80.610, 80.610, 127.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 2.200
Rwork	0.268
R-free	0.28700
Starting model (for MR)	1r7m
RMSD bond length	0.008
RMSD bond angle	1.530
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.510	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.061	0.516
Number of reflections	25122
<I/σ(I)>	15	3.1
Completeness [%]	99.7	100
Redundancy	9.21	9.24

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	277	pH 4.6, VAPOR DIFFUSION, temperature 277K