8Z1R

isocitrate lyase MoMcl1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	291.15
Detector technology	PIXEL
Collection date	2024-03-12
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	118.430, 150.495, 128.243
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.810 - 1.820
R-factor	0.1856
Rwork	0.184
R-free	0.21540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.765
Data reduction software	HKL-3000 (7.21)
Data scaling software	HKL-3000 (7.21)
Phasing software	PHASER (2.7.0)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.810	1.885
High resolution limit [Å]	1.820	1.820
Rmerge	0.136
Rmeas	0.142
Rpim	0.041	0.538
Number of reflections	102343	10172
<I/σ(I)>	14.46
Completeness [%]	100.0
Redundancy	12.2
CC(1/2)	0.999	0.727

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	291.15	4% v/v TacsimateTM pH 8.0, 12% w/v Polyethylene glycol 3,350