9Y34

Cytochrome P450 158A2 (CYP158A2) variant P354L

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2023-03-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	57.550, 67.280, 104.601
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.420 - 1.880
R-factor	0.1638
Rwork	0.162
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.371
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.420	1.930
High resolution limit [Å]	1.879	1.879
Number of reflections	33807	19173
<I/σ(I)>	6.95	3.85
Completeness [%]	99.9
Redundancy	6.9
CC(1/2)	0.977	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298.15	The protein sample had a concentration of 20 mg/mL in 20 mM Tris pH 7.4. The well solution was 0.1 M Bis-Tris pH 6.5 and 25% PEG 3350. The crystals were grown in a 1:1 drop ratio of protein:well