1K7I

PrtC from Erwinia chrysanthemi: Y228F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-04-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	101.967, 101.967, 122.298
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 * - 1.590
R-factor	0.199
Rwork	0.197
R-free	0.20420 *
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.250 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000 *	1.620
High resolution limit [Å]	1.590	1.590
Rmerge	0.040	0.212
Total number of observations	577315 *
Number of reflections	98513 *
<I/σ(I)>	39.5	6.9
Completeness [%]	99.8	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.5	20 *	NaCl, pH 6.5, VAPOR DIFFUSION, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		2 (M)
2	1	reservoir		0.1 (M)
3	1	reservoir		0.1 (M)
4	1	reservoir	MES	0.1 (M)	pH6.5