2CLL

Tryptophan Synthase (external aldimine state) in complex with N-(4'- trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-01
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	182.530, 59.770, 67.340
Unit cell angles	90.00, 94.66, 90.00

Refinement procedure

Resolution	19.360 - 1.600
R-factor	0.217
Rwork	0.217
R-free	0.24500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.600
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.360	1.700
High resolution limit [Å]	1.500	1.600
Rmerge	0.040	0.390
Number of reflections	116340
<I/σ(I)>	17.3	3.7
Completeness [%]	81.8	90.2
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.8		pH 7.80