7SUZ

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

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	47.143, 68.894, 154.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.080 - 2.500
R-factor	0.2126
Rwork	0.209
R-free	0.24490
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	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.540
High resolution limit [Å]	2.500	6.780	2.500
Rmerge	0.093	0.056	1.135
Rmeas	0.100	0.061	1.226
Rpim	0.038	0.024	0.459
Total number of observations	128366
Number of reflections	18089	1017	882
<I/σ(I)>	7.8
Completeness [%]	99.9	99.6	99.8
Redundancy	7.1	6.5	6.9
CC(1/2)		0.995	0.724

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