7MHB

Crystal structure of ATP-dependent protease ATPase subunit HslU in complex with Adenosine 5'-diphosphate

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	2020-12-03
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	H 3 2
Unit cell lengths	191.750, 191.750, 147.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.970 - 2.600
R-factor	0.2507
Rwork	0.248
R-free	0.28780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ofh in two domains as per Morda
RMSD bond length	0.005
RMSD bond angle	0.749
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MoRDa
Refinement software	PHENIX (1.19 dev 4203)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.088	0.042	0.595
Rmeas	0.093	0.045	0.628
Number of reflections	32080	394	2352
<I/σ(I)>	16.03	31.69	4.11
Completeness [%]	99.9	96.8	100
Redundancy	9.33	8.102	9.496
CC(1/2)	0.998	0.998	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	287	Anatrace/Calibre MCSG1 screen, condition G3: 1.5M Ammonium sulfate, 100mM Bis-Tris Propane: HCl, pH 7: Braba.00053.a.AE5.PW38673 at 20mg/ml: tray 311683 G3: cryo: 25% EG: puck akp6-1.