9JL5

CYP105A1 R84A complexed with mevastatin (cryogenic data collection)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-14
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	52.237, 53.178, 138.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.270 - 1.800
R-factor	0.1792
Rwork	0.177
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.852
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.800	1.800
Rmerge	0.039	0.261
Rmeas	0.042	0.287
Number of reflections	34683	4608
<I/σ(I)>	27.25	5
Completeness [%]	95.3
Redundancy	6.49
CC(1/2)	0.999	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.1	277	12-20% PEG4000, 10% MPD, 0.2 M NaCl, and 0.1 M Bis-Tris (pH 6.1) containing 10 mM mevastatin. The crystal was flash-cooled in the cold nitrogen gas stream at 100 K without cryoprotectant.