2CLH

Tryptophan Synthase in complex with (naphthalene-2'-sulfonyl)-2-amino- 1-ethylphosphate (F19)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-18
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	181.620, 59.010, 67.080
Unit cell angles	90.00, 94.63, 90.00

Refinement procedure

Resolution	19.560 - 1.700
R-factor	0.196
Rwork	0.196
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.251
RMSD bond angle	1.900
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.560	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.080	0.370
Number of reflections	76588
<I/σ(I)>	10.5	2.3
Completeness [%]	98.1	95.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8		pH 7.80