9UDB

Crystal structure of MonCI in complex with 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	2021-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	67.263, 52.560, 145.128
Unit cell angles	90.00, 92.76, 90.00

Refinement procedure

Resolution	19.471 - 2.000
R-factor	0.2209
Rwork	0.219
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8t3p
RMSD bond length	0.004
RMSD bond angle	0.730
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]	19.471	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.049	0.170
Rmeas	0.069	0.241
Rpim	0.049	0.170
Number of reflections	64592	4502
<I/σ(I)>	8.6	1.9
Completeness [%]	95.1	94
Redundancy	2	2
CC(1/2)	0.997	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.2 M NaCl, 0.1 M imadazole, pH 7.5, 30% PEG8000, 10% glycerol