8JNQ

Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with a substrate compound c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-06-21
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54184
Spacegroup name	P 21 21 21
Unit cell lengths	65.730, 68.436, 108.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.470 - 2.000
R-factor	0.19
Rwork	0.188
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.930
Data reduction software	CrysalisPro (171.39.7e)
Data scaling software	Aimless (CCP4Interface 7.1.015)
Phasing software	MOLREP (CCP4Interface 7.1.015)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.470	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.083	0.812
Rmeas	0.089	0.916
Rpim	0.030	0.417
Total number of observations	270689	11546
Number of reflections	33699	2444
<I/σ(I)>	16.6	1.8
Completeness [%]	99.9
Redundancy	8	4.7
CC(1/2)	0.998	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	289	0.2M Lithium chloride, 0.1M MES pH 6.0, 20% w/v PEG 6000