4IA8

Crystal Structure of a Y37A 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	2011-10-22
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.917285
Spacegroup name	P 1
Unit cell lengths	34.260, 34.280, 41.120
Unit cell angles	104.44, 108.92, 97.42

Refinement procedure

Resolution	31.550 - 1.850
R-factor	0.1769
Rwork	0.175
R-free	0.22020
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3g5g
RMSD bond length	0.018
RMSD bond angle	1.732
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER (2.5.1)
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.550	31.550	1.890
High resolution limit [Å]	1.850	9.060	1.850
Rmerge	0.119	0.011	0.011
Total number of observations		473	2927
Number of reflections	13243
<I/σ(I)>	5.8	14	1.5
Completeness [%]	75.0	95.8	79.1
Redundancy	1.9	2.1	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	277	0.2 M lithium sulfate, 0.1 M sodium acetate, 50 % v/v PEG 400, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K