7EBE

Crystal structure of Isocitrate lyase-1 from Candida albicans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	80.971, 139.910, 200.301
Unit cell angles	90.00, 92.55, 90.00

Refinement procedure

Resolution	47.110 - 2.690
R-factor	0.21634
Rwork	0.215
R-free	0.24797
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ebc
RMSD bond length	0.002
RMSD bond angle	0.398
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	200.100	2.790
High resolution limit [Å]	2.690	2.690
Rmerge	0.069	0.595
Rmeas	0.073	0.700
Rpim	0.039	0.366
Number of reflections	122958	12109
<I/σ(I)>	13.5
Completeness [%]	99.5
Redundancy	3.5
CC(1/2)	0.998	0.849

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	22%(w/v)PEG 3350, 0.2M magnesium formate