7DLS

Cytochrome P450 (CYP105D18) complex with papaverine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-19
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9794
Spacegroup name	C 1 2 1
Unit cell lengths	91.522, 52.172, 87.896
Unit cell angles	90.00, 110.68, 90.00

Refinement procedure

Resolution	44.590 - 2.060
R-factor	0.1744
Rwork	0.172
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7di3
RMSD bond length	0.008
RMSD bond angle	1.575
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0266)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	2.060	2.060
Number of reflections	41490
<I/σ(I)>	17.05
Completeness [%]	94.2
Redundancy	4.7
CC(1/2)	1.000	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	300	0.1 M Tris-HCl, pH 8.5, 1.5 M Ammonium phosphate dibasic