1XCF

Crystal structure of P28L/Y173F tryptophan synthase alpha-subunits from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6B
Synchrotron site	PAL/PLS
Beamline	6B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-11-26
Detector	MACSCIENCE
Wavelength(s)	1.12714
Spacegroup name	P 1 21 1
Unit cell lengths	71.087, 52.695, 71.518
Unit cell angles	90.00, 91.48, 90.00

Refinement procedure

Resolution	30.000 - 1.800
R-factor	0.261
Rwork	0.261
R-free	0.28900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k8x
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.054	0.289
Number of reflections	48396
<I/σ(I)>	24.8
Completeness [%]	91.9	79.7
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	HEPES-NA, isopropanol, polyethylene glycol4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K