9LN5

Crystal structure of P450revI A241L mutant in complex with reveromycin T

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-23
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.025000
Spacegroup name	P 65 2 2
Unit cell lengths	72.791, 72.791, 348.370
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.707 - 2.130
R-factor	0.2313
Rwork	0.229
R-free	0.27360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.580
Data reduction software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Data scaling software	XDS (VERSION Jun 30, 2023 BUILT=20230630)
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.707	2.206
High resolution limit [Å]	2.130	2.130
Number of reflections	31933	3118
<I/σ(I)>	25.01	3.51
Completeness [%]	100.0
Redundancy	37.6
CC(1/2)	0.999	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.0M Sodium citrate, 0.2M Sodium chloride, 0.1M Tris (pH 7.0)