3G0A

Mth0212 with two bound manganese ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	130
Detector technology	IMAGE PLATE
Collection date	2007-02-28
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	56.381, 56.381, 162.932
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.830 - 2.600
R-factor	0.193
Rwork	0.190
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fzi
RMSD bond length	0.010
RMSD bond angle	1.355
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Number of reflections	8864
<I/σ(I)>	17
Completeness [%]	96.6
Redundancy	6.5	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	reservoir solution: 10% (w/v) PEG 20000, 100mM MES-NaOH pH 6.5; protein solution: 600mM NaCl, 20mM HEPES-KOH pH 7.6, 2mM DTT; soaking in 6% (w/v) PEG 20000, 23% (v/v) glycerol, 60mM MES-NaOH pH 6.5, 200mM MnCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K