8GTL

Crystal Structure of Cytochrome P450 (CYP101D5)

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	2021-09-15
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	68.524, 109.573, 113.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.790 - 3.200
R-factor	0.268
Rwork	0.262
R-free	0.31900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nv5
RMSD bond length	0.002
RMSD bond angle	0.548
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.790	3.310
High resolution limit [Å]	3.200	3.200
Number of reflections	14555	1195
<I/σ(I)>	10.1
Completeness [%]	99.4
Redundancy	4.6
CC(1/2)	1.000	0.529

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		293	1.6 M ammonium phosphate monobasic