1ON1

Bacillus Subtilis Manganese Transport Regulator (Mntr) Bound To Manganese, AB Conformation.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Wavelength(s)	0.98397
Spacegroup name	P 1 21 1
Unit cell lengths	50.120, 46.020, 73.560
Unit cell angles	90.00, 92.72, 90.00

Refinement procedure

Resolution	40.500 - 1.750
Rwork	0.216
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bi2
RMSD bond length	0.004
RMSD bond angle	0.980
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.500	1.800
High resolution limit [Å]	1.750	1.750
Rmerge	0.048	0.193
Total number of observations	107792 *
Number of reflections	32650
<I/σ(I)>	8.5	2.1
Completeness [%]	96.3	90.7

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, HANGING DROP, 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)