7ROM

Crystal structure of Saccharomyces cerevisiae NADH-cytochrome b5 reductase 1 (Cbr1) fragment (residues 28-284) bound to FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-18
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97903
Spacegroup name	P 43 21 2
Unit cell lengths	72.225, 72.225, 114.669
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.650 - 1.650
R-factor	0.1569
Rwork	0.155
R-free	0.18810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2eix
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.650	46.650	1.680
High resolution limit [Å]	1.650	9.040	1.650
Rmerge	0.052	0.032	0.576
Rmeas	0.055	0.034	0.612
Rpim	0.018	0.012	0.203
Total number of observations	322326	1962	16216
Number of reflections	36978	264	1816
<I/σ(I)>	21.7	48.2	3.5
Completeness [%]	99.6	96	100
Redundancy	8.7	7.4	8.9
CC(1/2)	0.999	0.999	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		295	20 % (w/v) PEG 3350 and 200 mM sodium thiocyanate