9BWN

Nanoparticle Crystal Structure of a Thermostabilized Mutant Rv1498A Flavoprotein from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	F 41 3 2
Unit cell lengths	139.183, 139.183, 139.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.970 - 3.010
R-factor	0.2717
Rwork	0.270
R-free	0.29130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.530
Data reduction software	XDS
Data scaling software	HKL-2000
Phasing software	PHENIX (1.20.1_4487)
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.970	3.790
High resolution limit [Å]	3.000	3.012
Rmeas	0.088
Rpim	0.035
Number of reflections	2334	1029
<I/σ(I)>	34.2
Completeness [%]	90.7	83.05
Redundancy	5.7
CC(1/2)	1.000	0.462

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	298	0.2 M Lithium sulfate, 0.1 M Phosphate/citrate pH 4.2, 20% w/v PEG 1000