8XC3

Crystal structure of ZmHSL1A-MBQ complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2023-03-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.06
Spacegroup name	C 1 2 1
Unit cell lengths	86.580, 54.345, 174.160
Unit cell angles	90.00, 103.96, 90.00

Refinement procedure

Resolution	45.630 - 1.790
R-factor	0.1996
Rwork	0.198
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.832
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.630	1.820
High resolution limit [Å]	1.790	1.790
Rmerge		0.689
Number of reflections	72978	2570
<I/σ(I)>	11.2	2.1
Completeness [%]	97.2
Redundancy	3.5
CC(1/2)	0.998	0.817

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	MES, PEG 4000