4I6R

High Resolution Crystal Structure of the Wild-Type Restriction-Modification Controller Protein C.Esp1396I (Triclinic form)

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 1
Unit cell lengths	34.760, 34.780, 41.860
Unit cell angles	110.47, 105.60, 96.00

Refinement procedure

Resolution	25.790 - 1.380
R-factor	0.1505
Rwork	0.149
R-free	0.18150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g5g
RMSD bond length	0.030
RMSD bond angle	2.696
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]	37.049	25.790	1.410
High resolution limit [Å]	1.380	7.310	1.380
Rmerge	0.049	0.042	0.370
Total number of observations		909	5986
Number of reflections	31070
<I/σ(I)>	14.3	34.9	4
Completeness [%]	83.5	96.7	83.8
Redundancy	3.8	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.1 M MMT buffer, 100 mM Sodium Sulphate, 25% PEG 1500, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K