1MVL

PPC decarboxylase mutant C175S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-02-26
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 63
Unit cell lengths	111.790, 111.790, 32.996
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.1702
Rwork	0.169
R-free	0.20300 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1e20
RMSD bond length	0.011
RMSD bond angle	1.530
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.060	0.220
Number of reflections	15995
Completeness [%]	98.2	98.4
Redundancy	2.4	2.3

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