3I4Z

Crystal structure of the dimethylallyl tryptophan synthase FgaPT2 from Aspergillus fumigatus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	103
Detector technology	CCD
Collection date	2008-11-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9395
Spacegroup name	P 21 21 21
Unit cell lengths	80.060, 98.790, 125.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.710 - 1.760
R-factor	0.152
Rwork	0.151
R-free	0.18300
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.447
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHARP
Refinement software	REFMAC (5.5.0070)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.710	1.810
High resolution limit [Å]	1.760	1.760
Rmerge	0.098	0.470
Number of reflections	98932
<I/σ(I)>	14.14	2.2
Completeness [%]	98.7	91.3
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	26% 1,3-butanediol, 50mM sodium L-lactate, 100mM sodium MOPSO pH 7.0, 2mM DTT, vapour diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP
1	VAPOR DIFFUSION, HANGING DROP	7	277	26% 1,3-butanediol, 50mM sodium L-lactate, 100mM sodium MOPSO pH 7.0, 2mM DTT, vapour diffusion, hanging drop, temperature 277K, VAPOR DIFFUSION, HANGING DROP