1MUM

Structure of the 2-Methylisocitrate Lyase (PrpB) from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-02-05
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 32 2 1
Unit cell lengths	82.895, 82.895, 166.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 1.900
R-factor	0.218
Rwork	0.213
R-free	0.23400
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	22.200 *
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.054	0.370
Total number of observations	255945 *
Number of reflections	52996
<I/σ(I)>	20.5	3
Completeness [%]	98.2	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7 *	18 *	ammonium sulphate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		0.02 (%(w/v))
2	1	drop	protein	15 (g/l)
3	1	drop	HEPES	10 (mM)	pH7.0