3GAB

C-terminal domain of Bacillus subtilis MutL crystal form I

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-27
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792, 0.9794, 0.9686
Spacegroup name	C 2 2 21
Unit cell lengths	88.288, 94.894, 218.663
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.778 - 2.500
R-factor	0.2189
Rwork	0.216
R-free	0.26700
Structure solution method	MAD
RMSD bond length	0.003
RMSD bond angle	0.609
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.470
High resolution limit [Å]	2.380	2.380
Rmerge	0.040	0.225
Number of reflections	35660
<I/σ(I)>	41.5	4.5
Completeness [%]	95.9	76
Redundancy	5.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	24-29% PEG MME 550, 0.1 M MgCl2, 0.1 M TRIS pH 9, 5% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	9	277	24-29% PEG MME 550, 0.1 M MgCl2, 0.1 M TRIS pH 9, 5% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 277K