1FNJ

CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88S/R90K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	1996-11-01
Detector	RIGAKU RAXIS IIC
Spacegroup name	H 3
Unit cell lengths	82.600, 82.600, 42.843
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.900
R-factor	0.196
Rwork	0.196
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMEN
Starting model (for MR)	PDB# 2CHT
RMSD bond length	0.011
RMSD bond angle	1.358 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.060 *
Number of reflections	10748
<I/σ(I)>	29
Completeness [%]	97.7	82.1
Redundancy	4.9	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	Protein solution: 10 mM Tris-HCl, 2mM DTT, 0.125 mM EDTA, Reservoir solution: 30% PEG 400, 50 mM Tris-HCl, 50 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15-20 (mg/ml)
2	1	reservoir	PEG400	30 (%)
3	1	reservoir	Tris-HCl	50 (mM)	pH7.0-7.5
4	1	reservoir		50 (mM)