9UDD

Crystal structure of MonCI in complex with monoepoxidized farnesyl acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-07-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	66.829, 52.443, 145.511
Unit cell angles	90.00, 92.62, 90.00

Refinement procedure

Resolution	36.340 - 2.100
R-factor	0.198
Rwork	0.196
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8t3p
RMSD bond length	0.009
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.330	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.122	0.672
Rmeas	0.133	0.749
Rpim	0.052	0.322
Number of reflections	58988	4346
<I/σ(I)>	8.5	2.2
Completeness [%]	99.5	95.5
Redundancy	6.4
CC(1/2)	0.993	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	0.1 M Lithium Chloride, 0.1 M HEPES, pH 7.3, 28%(w/v) PEG 6000