1EV5

CRYSTAL STRUCTURE ANALYSIS OF ALA167 MUTANT OF ESCHERICHIA COLI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	138
Detector technology	CCD
Collection date	1998-11-25
Detector	OTHER
Spacegroup name	I 21 3
Unit cell lengths	132.491, 132.491, 132.491
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.700
R-factor	0.199
Rwork	0.199
R-free	0.21900
RMSD bond length	0.005
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.056	0.450
Total number of observations	459585 *
Number of reflections	41527
<I/σ(I)>	46.57
Completeness [%]	99.9 *	0.62
Redundancy	11.07

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	291	38% saturated ammonium sulfate, 100 mM Tris HCl, 40 mM sodium phosphate, 20 mM 2-mercaptoethanol, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	7-10 (mg/ml)
2	1	drop	EDTA	1 (mM)
3	1	drop	2-mercaptoethanol	15 (mM)
4	1	drop	potassium chloride	50-100 (mM)
5	1	drop	potassium phosphate	20-50 (mM)
6	1	reservoir	ammonium sulfate	48 (%sat)
7	1	reservoir	potassium phosphate	100 (mM)