9U7W

Crystal structure of the CYP105D18 double mutant F184A/F191A from Streptomyces laurentii

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	2024-06-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	91.280, 52.342, 87.673
Unit cell angles	90.00, 110.68, 90.00

Refinement procedure

Resolution	36.770 - 1.090
R-factor	0.1522
Rwork	0.152
R-free	0.16840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.694
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.020	1.120
High resolution limit [Å]	1.090	1.090
Rmerge	0.055	0.492
Rmeas	0.068	0.650
Rpim	0.038	0.420
Total number of observations	475758	21512
Number of reflections	158636	11009
<I/σ(I)>	11.6	1.6
Completeness [%]	98.6
Redundancy	3	2
CC(1/2)	0.983	0.682

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.2 M Lithium sulfate, 0.1 M Bis-Tris, pH 6.5, and 23 %(w/v) PEG 3350