4RDM

Crystal structure of R.NgoAVII restriction endonuclease B3 domain with cognate DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-07-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	63.307, 95.464, 97.817
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.704 - 2.700
R-factor	0.2218
Rwork	0.218
R-free	0.25820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.647
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP (11.0.02)
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.704	38.704	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge		0.032	0.657
Total number of observations		3571	16731
Number of reflections	16907
<I/σ(I)>	15	12.9	1.1
Completeness [%]	100.0	98.8	100
Redundancy	6.8	5.8	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	Crystallization buffer was 0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5, 25% w/v PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K