5O63

Crystal structure of UbaLAI restriction endonuclease B3 domain domain (mutant L24M L53M L95M) with cognate DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-11-30
Detector	PSI PILATUS 6M
Wavelength(s)	0.82661
Spacegroup name	P 21 21 21
Unit cell lengths	40.775, 94.583, 123.403
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.678 - 1.600
R-factor	0.1624
Rwork	0.159
R-free	0.19060
Structure solution method	SIRAS
RMSD bond length	0.019
RMSD bond angle	1.771
Data reduction software	XDS
Data scaling software	SCALA (3.2.19)
Phasing software	SHELX
Refinement software	PHENIX (1.8.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	94.583	94.583	1.690
High resolution limit [Å]	1.346	5.060	1.600
Rmerge	0.035	0.021	0.443
Rmeas	0.040	0.024	0.515
Rpim	0.016	0.010	0.196
Number of reflections	63722
<I/σ(I)>	25.6	17.4	1.8
Completeness [%]	99.6	99.5	99.7
Redundancy	6.6	6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	Crystallization buffer was 0.15 M Na-Citrate (pH 5.6), 20% PEG3350