1UJQ

Crystal structure of 2-methylisocitrate lyase (PrpB) from Salmonella enterica serovar typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-02-05
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	62.812, 99.086, 201.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.100
R-factor	0.205
Rwork	0.205
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mum
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.061	0.423 *
Total number of observations	391895 *
Number of reflections	70807 *
<I/σ(I)>	15.5	5.2
Completeness [%]	95.4 *	97.2 *
Redundancy	5.5	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	Imidazole,Sodium acetate trihydrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	imidazole	0.1 (M)	pH6.5
2	1	reservoir	sodium acetate trihydrate	1.0 (M)