3WAZ

Crystal structure of a restriction enzyme PabI in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	95
Detector technology	CCD
Collection date	2012-06-20
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	I 2 2 2
Unit cell lengths	104.508, 151.402, 187.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.942 - 3.000
R-factor	0.1703
Rwork	0.169
R-free	0.19400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dvy
RMSD bond length	0.002
RMSD bond angle	0.674
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	117.843	19.942	3.160
High resolution limit [Å]	3.000	9.490	3.000
Rmerge		0.030	0.623
Rmeas		0.033	0.670
Rpim		0.013	0.243
Total number of observations		5734	32737
Number of reflections	30063
<I/σ(I)>	17.6	46	3.4
Completeness [%]	99.6	89.1	100
Redundancy	7.3	6.3	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	2.1M sodium malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K