9JS9

Crystal structure of the CYP154C5 F92A/R114A/T248G/E282A variant from Nocardia farcinica

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	2023-10-23
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	55.648, 61.679, 68.164
Unit cell angles	90.00, 113.95, 90.00

Refinement procedure

Resolution	33.320 - 1.890
R-factor	0.2055
Rwork	0.203
R-free	0.24320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j6b
RMSD bond length	0.004
RMSD bond angle	0.778
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.290	1.990
High resolution limit [Å]	1.890	1.890
Rmerge		1.195
Rmeas	0.422
Rpim		0.795
Number of reflections	32821	4588
<I/σ(I)>	4.9
Completeness [%]	96.7
Redundancy	3.4	2.9
CC(1/2)	0.864	0.468

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Bis-Tris pH 6.0, 0.2M NaCl, 19% PEG3350