1ON2

Bacillus subtilis Manganese Transport Regulator (MntR), D8M Mutant, Bound to Manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Temperature [K]	100
Spacegroup name	P 32
Unit cell lengths	52.500, 52.500, 83.100
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.600 - 1.610
Rwork	0.220
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005 *
RMSD bond angle	1.060
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	1.670
High resolution limit [Å]	1.610	1.610
Rmerge	0.043	0.266
Total number of observations	101987 *
Number of reflections	30208
<I/σ(I)>	10.4	2.4
Completeness [%]	91.6	62.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.5	293	30% PEG 400, 0.15 M Lithium sulfate, pH 8.5, VAPOR DIFFUSION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	Tris-HCl	0.1 (M)	pH8.5
3	1	reservoir	PEG400	20-30 (%(v/v))
4	1	reservoir		0.15 (M)
5	1	reservoir		2 (mM)