4FN3

Crystal Structure of an S52A mutant of the Restriction-Modification Controller Protein C.Esp1396I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-06
Detector	PSI PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	46.590, 51.320, 74.380
Unit cell angles	90.00, 95.46, 90.00

Refinement procedure

Resolution	34.410 - 1.790
R-factor	0.1802
Rwork	0.179
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	2.171
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.043	37.021	1.880
High resolution limit [Å]	1.786	5.650	1.790
Rmerge		0.053	0.434
Total number of observations		3258	14381
Number of reflections	16667
<I/σ(I)>	11.6	8	1.5
Completeness [%]	99.8	99.8	99.8
Redundancy	5.9	5.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	200mM Sodium Sulphate, 20% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 277K