1MVN

PPC decarboxylase mutant C175S complexed with pantothenoylaminoethenethiol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-03-03
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	111.181, 111.181, 33.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 * - 2.210
R-factor	0.2196
Rwork	0.210
R-free	0.26400
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1mvl
RMSD bond length	0.011 *
RMSD bond angle	0.011
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.290
High resolution limit [Å]	2.210	2.210
Rmerge	0.040	0.265
Number of reflections	11729
<I/σ(I)>	22	3.1
Completeness [%]	96.2	84.5
Redundancy	2.9	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.5 *	293	ammonium sulphate, imidazole, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)	pH7.5
3	1	reservoir	ammonium sulfate	1.4 (M)
4	1	reservoir	imidazole-HCl	100 (mM)	pH6.3