2F6P

BenM effector binding domain- SeMet derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	65.090, 66.702, 117.849
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.926 - 2.001
R-factor	0.183
Rwork	0.181
R-free	0.22670
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.048
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.02)
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.926	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.069	0.221
Number of reflections	35252
<I/σ(I)>	49.6	9.6
Completeness [%]	99.6	98.6
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil		288	PEG 4000, ammonium sulfate, sodium acetate, NaCl, tris, glycerol, imidazole, microbatch under oil, temperature 288K