5DWC

Crystal structure of restriction endonuclease AgeI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-28
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9100
Spacegroup name	P 21 21 21
Unit cell lengths	37.213, 59.269, 120.915
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.329 - 2.500
R-factor	0.2186
Rwork	0.214
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dwb
RMSD bond length	0.002
RMSD bond angle	0.676
Data reduction software	MOSFLM (7.0.6)
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (6.0)
Refinement software	PHENIX (1.8.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.329	33.329	2.640
High resolution limit [Å]	2.500	7.910	2.500
Rmerge		0.029	0.647
Rmeas	0.141
Rpim	0.057	0.015	0.312
Total number of observations	56770	1751	8126
Number of reflections	9795
<I/σ(I)>	12.5	29.4	3
Completeness [%]	100.0	98.8	100
Redundancy	5.8	4.8	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Crystallization buffer was 0.1 M NaCl, 0.1 M Na-Hepes (pH 7.5), 22% PEG3350