9JKW

CYP105A1 R84A complexed with mevastatin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	298
Detector technology	PIXEL
Collection date	2021-12-12
Detector	DECTRIS EIGER R 4M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	53.534, 54.114, 141.513
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.690 - 2.190
R-factor	0.2216
Rwork	0.220
R-free	0.25350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.051
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	2.330
High resolution limit [Å]	2.190	2.190
Rmerge	0.058	0.323
Rmeas	0.066	0.363
Number of reflections	20279	3316
<I/σ(I)>	14.41	3.44
Completeness [%]	93.1	95.6
Redundancy	4.39
CC(1/2)	0.999	0.920

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 packed into a glass capillary before data collection.