9N2G

Structure of apo Mtb NapA(16-90)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-02
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	I 1 2 1
Unit cell lengths	41.900, 50.359, 62.948
Unit cell angles	90.00, 104.17, 90.00

Refinement procedure

Resolution	38.440 - 2.390
R-factor	0.2298
Rwork	0.227
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.021
Data reduction software	iMOSFLM
Data scaling software	Aimless (v7.0.078)
Phasing software	MOLREP
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.800	2.440
High resolution limit [Å]	2.390	2.390
Rpim	0.079	0.187
Number of reflections	5554	106
<I/σ(I)>	6.8	2.4
Completeness [%]	98.1
Redundancy	5.6	5.7
CC(1/2)	0.996	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	23%Peg 3350, 0.1 M sodium thiocyanate