5DWB

Crystal structure of specific restriction endonuclease AgeI-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8150
Spacegroup name	P 1 21 1
Unit cell lengths	50.587, 87.093, 66.521
Unit cell angles	90.00, 99.82, 90.00

Refinement procedure

Resolution	25.462 - 2.400
R-factor	0.1828
Rwork	0.179
R-free	0.21730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dwa
RMSD bond length	0.005
RMSD bond angle	0.916
Data reduction software	MOSFLM (6.2.6)
Data scaling software	SCALA (3.2.19)
Phasing software	MOLREP (6.0)
Refinement software	PHENIX (1.8.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.744	30.744	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge	0.056	0.032	0.198
Rmeas	0.077
Rpim	0.039	0.022	0.143
Total number of observations	79694	2658	9941
Number of reflections	21165
<I/σ(I)>	17.4	34.7	7
Completeness [%]	95.2	97.2	86.3
Redundancy	3.8	3.7	3.6

Crystallization Conditions

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