2J9Y

Tryptophan Synthase Q114N mutant in complex with Compound II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-12
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	182.740, 60.700, 67.410
Unit cell angles	90.00, 94.83, 90.00

Refinement procedure

Resolution	19.450 - 1.800
R-factor	0.228
Rwork	0.228
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.123
RMSD bond angle	1.800
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.700	1.800
Rmerge	0.090	0.340
Number of reflections	80056
<I/σ(I)>	9	3.8
Completeness [%]	98.7	98.8
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.8		pH 7.8