8JUA

Multifunctional cytochrome P450 enzyme IkaD from Streptomyces sp. ZJ306, in complex with epoxyikarugamycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-15
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54184
Spacegroup name	I 1 2 1
Unit cell lengths	92.620, 81.939, 144.165
Unit cell angles	90.00, 94.39, 90.00

Refinement procedure

Resolution	23.310 - 2.000
R-factor	0.206499818957
Rwork	0.204
R-free	0.25565
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.473
Data reduction software	CrysalisPro (CrysalisPro171.39.7e)
Data scaling software	Aimless (CCP4Interface 7.1.015)
Phasing software	MOLREP (CCP4Interface 7.1.015)
Refinement software	PHENIX (1.9_1692+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.310	2.040
High resolution limit [Å]	2.000	2.000
Rmerge	0.103	0.638
Rmeas	0.115	0.775
Rpim	0.049	0.432
Total number of observations		13298
Number of reflections	72440	4397
<I/σ(I)>	10.5	1.7
Completeness [%]	99.7
Redundancy	5.1	3
CC(1/2)	0.994	0.544

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	3.5-4M sodium formate