5E9H

Structural insights of isocitrate lyases from Fusarium graminearum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-01
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	124.475, 124.475, 160.350
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.400 - 2.300
R-factor	0.187
Rwork	0.186
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dqu
RMSD bond length	0.008
RMSD bond angle	1.124
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Number of reflections	64136
<I/σ(I)>	19.87
Completeness [%]	100.0
Redundancy	21.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	2.4M SODIUM MALONATE, PH 8.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 295.0K