9M7I

Crystal structure of FtmoX1 complexes with tetrahydroisoquinoline

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97923
Spacegroup name	P 21 21 21
Unit cell lengths	73.710, 81.810, 91.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.560 - 1.750
R-factor	0.2104
Rwork	0.209
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.064
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.560	1.800
High resolution limit [Å]	1.750	1.750
Number of reflections	56139	56139
<I/σ(I)>	19.5
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	25%PEG4000, 0.1MTris, 0.3Mmagnesium chloride