4RCT

Crystal structure of R-protein of NgoAVII restriction endonuclease

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	2012-10-24
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	75.513, 106.799, 108.235
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.796 - 2.250
R-factor	0.1893
Rwork	0.187
R-free	0.21040
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.063
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.19)
Phasing software	MLPHARE
Refinement software	PHENIX (1.8.3_1479)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.735	29.735	2.370
High resolution limit [Å]	1.685	7.120	2.250
Rmerge	0.081	0.033	0.392
Total number of observations		9622	46329
Number of reflections	42289
<I/σ(I)>	23.6	14.3	1.8
Completeness [%]	99.9	97.7	100
Redundancy	7.6	6.7	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	291	Crystallization buffer was 0.1 M Sodium chloride, 0.1 M Na-BICINE pH 9.0, 20% v/v PEGMME 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K