10RY

Crystal structure of compound 8t bound to PaLpxC

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2020-08-04
Detector	APEX II CCD
Wavelength(s)	1.5406
Spacegroup name	P 63
Unit cell lengths	108.745, 108.745, 58.261
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	35.621 - 1.902
Rwork	0.198
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.763
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.126))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.620	1.951
High resolution limit [Å]	1.900	1.902
Number of reflections	31043	324
<I/σ(I)>	12.2
Completeness [%]	100.0	98.7
Redundancy	1.9	1.8
CC(1/2)	0.999	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Tris pH 7.4, 32% PEG Smear Medium, 2% glycerol, 2 mM TCEP