8IQU

Structure of MtbFadD23 with PhU-AMS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978530
Spacegroup name	P 61 2 2
Unit cell lengths	72.921, 72.921, 457.762
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.650 - 2.640
R-factor	0.2053
Rwork	0.203
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.981
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3600)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.800
High resolution limit [Å]	2.640	2.640
Number of reflections	22577	1613
<I/σ(I)>	9.21
Completeness [%]	100.0
Redundancy	10.3
CC(1/2)	0.997	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	30 mM Tris (pH 8.5), 140 mM sodium citrate, 60 mM ammonium phosphate monobasic, 15% w/v (+/-)-2-methyl-2,4-pentanediol, and 14% (w/v) polyethylene glycol 3350