8K8L

Structure of Klebsiella pneumonia ModA with molybdate

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	2023-05-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	28.102, 72.775, 125.234
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.760 - 1.770
R-factor	0.1733
Rwork	0.170
R-free	0.20250
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.865
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.770	1.770
Rpim	0.036	0.149
Number of reflections	20631	2045
<I/σ(I)>	16.7
Completeness [%]	98.4
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3	289	0.1 M Citric acid, 25% w/v Polyethylene glycol 3,350, molybdate