1DBF

CHORISMATE MUTASE FROM BACILLUS SUBTILIS AT 1.30 ANGSTROM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1998-02-16
Detector	BRUKER
Spacegroup name	P 21 21 21
Unit cell lengths	52.200, 83.770, 85.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 1.300
R-factor	0.167
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2chs
RMSD bond length	0.012
RMSD bond angle	0.031
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	AMoRE
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000 *	1.270
High resolution limit [Å]	1.300 *	1.300 *
Rmerge	0.092	0.336 *
Total number of observations	255732 *
Number of reflections	89868
<I/σ(I)>	11.5	1.2
Completeness [%]	92.0 *	68 *
Redundancy	2.8 *	1.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	298	PROTEIN DROP: 5 MICROLITERS PROTEIN SOLUTION, 5 MICROLITERS RESERVOIR. PROTEIN SOLUTION: 13 MG/ML PROTEIN, 100 MM PMSF, 100 MM NACL, 50 MM TRIS PH 7.5, 1 MM EDTA, 1 MM DTT. RESERVOIR SOLUTION: 2.2 M AMMONIUM SULFATE, 100 MM SODIUM ACETATE PH 3.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	13 (mg/ml)
2	1	drop	sodium chloride	100 (mM)
3	1	drop	Tris-HCl	50 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	drop	EDTA	1 (mM)
6	1	drop	PMSF	0.1 (mM)
7	1	reservoir	ammonium sulfate	2.2 (M)
8	1	reservoir	sodium acetate	100 (mM)