1L5Y

CRYSTAL STRUCTURE OF MG2+ / BEF3-BOUND RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-09-25
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.005, 76.837, 77.853
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.870 - 2.100
Rwork	0.184
R-free	0.22900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qkk
RMSD bond length	0.014
RMSD bond angle	22.400 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.240	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.105	0.230
Total number of observations	69850 *
Number of reflections	18672
<I/σ(I)>	4.9	2
Completeness [%]	99.3 *	99.3 *
Redundancy	3.74	1.96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	298	PEG 8000, lithium sulfate, HEPES, beryllium chloride, sodium fluoride, magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium succinate	50 (mM)	pH5.6
2	1	reservoir		65-75 (mM)