1L5Z

CRYSTAL STRUCTURE OF THE E121K SUBSTITUTION OF THE 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	2001-09-30
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	I 2 2 2
Unit cell lengths	57.129, 58.139, 168.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.700 - 2.000
Rwork	0.196
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qkk
RMSD bond length	0.015
RMSD bond angle	21.900 *
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]	36.700	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.222
Total number of observations	59135 *
Number of reflections	19264
<I/σ(I)>	7.1	2.2
Completeness [%]	98.9 *	98.1 *
Redundancy	3.04	1.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	298	HEPES, lithium sulfate, PEG 8000, pH 7.5, 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)