2F97

Effector Binding Domain of BenM (crystals generated from high pH conditions)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	.97935
Spacegroup name	P 43 2 2
Unit cell lengths	70.048, 70.048, 187.683
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.014 - 2.200
R-factor	0.1779
Rwork	0.176
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2f6g
RMSD bond length	0.007
RMSD bond angle	0.915
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.014	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.063	0.769
Number of reflections	24724
<I/σ(I)>	65.96	5.92
Completeness [%]	99.9	99.9
Redundancy	20.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9		PEG 8000, TAPS, LiCl, imidazole, tris, NaCl, cis,cis-muconate, glycerol, pH 9, Microbatch under oil