8U9E

Crystal Structure of Staphylococcus aureus Pdx1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-08-11
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97718
Spacegroup name	H 3 2
Unit cell lengths	182.407, 182.407, 96.626
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	82.200 - 3.020
R-factor	0.2255
Rwork	0.224
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.387
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_4788)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.234	3.010
High resolution limit [Å]	2.959	2.959
Rmerge	0.153	2.058
Rpim	0.029	0.360
Number of reflections	12897	640
<I/σ(I)>	17.1	2.2
Completeness [%]	100.0	100
Redundancy	30	33.2
CC(1/2)	0.999	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris base; BICINE, pH 8.5; 1.6% w/v dipeptides mix, 20% v/v glycerol; 10% w/v PEG 4000