2RH9

Tryptophan synthase complexed with IGP, internal aldimine, pH 9.0

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	2000-09-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.93000
Spacegroup name	C 1 2 1
Unit cell lengths	183.071, 59.281, 67.345
Unit cell angles	90.00, 94.67, 90.00

Refinement procedure

Resolution	43.730 - 1.700
R-factor	0.17338
Rwork	0.172
R-free	0.20044
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.426
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CNS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.055	0.313
Number of reflections	77139
<I/σ(I)>	10.01	2.46
Completeness [%]	97.3	97.1
Redundancy	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	Protein: 50 mM Bicine pH 7.8, 10 mM Na-EDTA, 1 mM DTE, 20 uM PLP. Reservoir: 50 mM Bicine pH 7.8, 5 mM DTE, 5 mM Na-EDTA, 0.1 M PLP, 2 mM Spermine, 2 mM NaN3, 8-12% PEG 8000. Crystal soaked in 15% PEG 8000, 20% Glycerol, 23 mM IGP, pH controlled at pH 9.0 before flash-cooling, VAPOR DIFFUSION, HANGING DROP, temperature 293K