5DWA

Crystal structure of pre-specific restriction endonuclease AgeI-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X12
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X12
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.99985
Spacegroup name	P 21 21 21
Unit cell lengths	66.003, 79.806, 101.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.270 - 1.500
R-factor	0.155
Rwork	0.152
R-free	0.18520
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.022
Data reduction software	MOSFLM (6.2.6)
Data scaling software	SCALA (3.2.19)
Phasing software	MLPHARE (6.0)
Refinement software	PHENIX (1.8.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	79.809	79.809	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.062	0.052	0.197
Rmeas	0.066
Rpim	0.017	0.013	0.107
Total number of observations	694292	50561	61889
Number of reflections	84560
<I/σ(I)>	24.7	79.8	4.7
Completeness [%]	97.8	99.9	100
Redundancy	8.2	17	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.2 M NaCl, 0.1 M Bis-Tris (pH 5.5), 19% PEG3350
2	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.2 M NaCl, 0.1 M Bis-Tris (pH 5.5), 19% PEG3350