7K73

Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] from Mycobacterium fortuitum bound to NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2019-07-11
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 1 21 1
Unit cell lengths	74.940, 90.860, 91.910
Unit cell angles	90.00, 90.96, 90.00

Refinement procedure

Resolution	38.850 - 1.800
R-factor	0.1466
Rwork	0.146
R-free	0.17660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2h7i
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.850	38.850	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.050	0.028	0.268
Rmeas	0.058	0.033	0.317
Total number of observations	429032
Number of reflections	112564	1317	8118
<I/σ(I)>	18.24	40.8	4.34
Completeness [%]	98.7	97.6	96.2
Redundancy	3.811	3.557	3.405
CC(1/2)	0.999	0.998	0.936

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		294	MCSG-1 H3: 0.2 M Lithium Acetate, 20% (w/v) PEG 3350 + 5 mM NAD (BSI1606), 28.49 mg/mL MyfoA.00170.a.B1.PS38584 cryo: 20% EG