4I6T

Crystal Structure of a T36A mutant of the Restriction-Modification Controller Protein C.Esp1396I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-15
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	P 65
Unit cell lengths	65.449, 65.449, 72.290
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.810 - 2.000
R-factor	0.1874
Rwork	0.184
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.875
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER (2.5.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.681	44.600	2.020
High resolution limit [Å]	1.970	9.030	1.970
Rmerge	0.437	0.026	0.026
Total number of observations		1611	9506
Number of reflections	12508
<I/σ(I)>	4.2	9	1.1
Completeness [%]	99.6	99.5	100
Redundancy	10.4	11.3	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	100 mM Sodium Sulphate, 2.4 M Sodium Malonate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 277K