5E9G

Structural insights of isocitrate lyases from Magnaporthe oryzae

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 21 21 21
Unit cell lengths	121.122, 135.078, 158.704
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.100
R-factor	0.224
Rwork	0.224
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dqu
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	CNS (1.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.079	0.404
Number of reflections	142312
<I/σ(I)>	8.4
Completeness [%]	93.3	91.9
Redundancy	6.4	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	295	0.2M POTASSIUM SODIUM TARTRATE, 20% PEG-3350, 10% (V/V) GLYCEROL, PH 8.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295.0K