9LK0

Crystal structure of MlaC protein with s6267 Aptamer

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	2023-11-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.102
Spacegroup name	P 21 21 21
Unit cell lengths	37.770, 101.110, 121.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.690 - 1.780
R-factor	0.2076
Rwork	0.206
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.964
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.690	1.830
High resolution limit [Å]	1.780	1.780
Rmerge	0.105	1.924
Number of reflections	45791	3338
<I/σ(I)>	15.7
Completeness [%]	100.0
Redundancy	12.8	13
CC(1/2)	0.999	0.607

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.08 M Magnesium acetate tetrahydrate,0.05 M Sodium cacodylate trihydrate 6.5,30 % w/v Polyethylene glycol 4,000