2H98

Crystal structure of the effector binding domain of a CatM variant, CatM(V158M)

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
Collection date	2004-12-09
Detector	MARRESEARCH
Wavelength(s)	0.97934
Spacegroup name	P 1
Unit cell lengths	37.447, 51.038, 59.120
Unit cell angles	69.55, 89.51, 77.63

Refinement procedure

Resolution	44.200 - 1.800
R-factor	0.171
Rwork	0.167
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB accession code 2F7B CatM-EBD
RMSD bond length	0.007
RMSD bond angle	1.067
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.045	0.346
Number of reflections	34934	3450
<I/σ(I)>	9.4	14.3
Completeness [%]	94.5	89.87
Redundancy	1.6	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			296.4	Precipitant:0.1 M LiCL, 0.1 M MES, 40% PEG8000 Protein: 20 mM tris HCl, 0.5 M NaCl, 250 mM imidazole, pH 7.9, 10% glycerol Equal volumes mixed, Microbatch under oil. The growing crystallization solution was in pH 6 and the protein solution was in pH 7.9 condition, temperature 296.4K