4FBI

Crystal Structure of an R46A mutant of the Restriction-Modification Controller Protein C.Esp1396I (Trigonal Form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979494
Spacegroup name	P 32
Unit cell lengths	65.329, 65.329, 71.380
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.190 - 1.500
R-factor	0.1619
Rwork	0.160
R-free	0.19890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	2.889
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER (2.2.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	71.380	30.186	1.570
High resolution limit [Å]	1.487	4.700	1.490
Rmerge		0.021	0.246
Total number of observations		5067	19011
Number of reflections	53279
<I/σ(I)>	15.3	23.6	3
Completeness [%]	95.1	99.3	97
Redundancy	2.4	2.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	0.1M MIB buffer, 25% w/v PEG 1500, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 277K