1JHM

Three-dimensional Structure of CobT in Complex with 5-methylbenzimidazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	278
Detector technology	AREA DETECTOR
Collection date	2000-11-13
Detector	SIEMENS HI-STAR
Spacegroup name	P 21 21 2
Unit cell lengths	71.820, 90.050, 47.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.200
R-factor	0.183 *
Rwork	0.183
R-free	0.30200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1d0s
RMSD bond length	0.010
RMSD bond angle	1.910
Data reduction software	XDS
Data scaling software	XDS
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.049	0.156
Number of reflections	13880
<I/σ(I)>	9.5	2.8
Completeness [%]	93.9	85.7
Redundancy	1.6	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	Ammonium Phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		100 (mM)
4	1	reservoir	ammonium phosphate	1.4 (M)