9LW0

Cytochrome P450PL2 from Parvibaculum lavamentivorans DS-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-26
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.987
Spacegroup name	P 65
Unit cell lengths	90.854, 90.854, 138.005
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.320 - 2.120
R-factor	0.1889
Rwork	0.188
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.380
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.320	2.197
High resolution limit [Å]	2.120	2.120
Number of reflections	35196	3620
<I/σ(I)>	35.98
Completeness [%]	96.5
Redundancy	18.9
CC(1/2)	1.000	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	291	1.2 M sodium citrate, 0.1 M HEPES pH 7.2