9KG5

Crystal structure of the CYP154C5 F92A/R114A/T248D/E282A variant from Nocardia farcinica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	H 3
Unit cell lengths	103.360, 103.360, 218.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.670 - 1.850
R-factor	0.1884
Rwork	0.188
R-free	0.20150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	9js9
RMSD bond length	0.003
RMSD bond angle	0.638
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.610	1.810
High resolution limit [Å]	1.760	1.760
Rmerge	0.145	0.999
Rmeas	0.162	1.117
Rpim	0.072	0.497
Total number of observations	440282	32101
Number of reflections	86129	6429
<I/σ(I)>	7	1.5
Completeness [%]	99.9
Redundancy	5.1	5
CC(1/2)	0.988	0.603

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	205mM MgCl2,5mM CdCl2,100mM HEPES PH 7.5, 12% PEG3350