7SUX

NADPH-dependent cytochrome P450 reductase 2b from Sorghum bicolor (SbCPR2b) -NADP+ complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2021-09-26
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	47.127, 69.653, 153.271
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.820 - 2.360
R-factor	0.2353
Rwork	0.232
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gxu
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.820	2.444
High resolution limit [Å]	2.360	2.360
Rmerge	0.113	1.768
Number of reflections	21324	1939
<I/σ(I)>	13.58
Completeness [%]	99.1
Redundancy	6.9
CC(1/2)	0.997	0.409

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	0.2 M sodium thiocyanate, pH 6.9, 20% w/v PEG3350