29AH

Crystal structure of PaLpxC complexed with compound 6

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97622
Spacegroup name	P 1 21 1
Unit cell lengths	35.591, 79.096, 50.745
Unit cell angles	90.00, 92.30, 90.00

Refinement procedure

Resolution	42.690 - 2.200
R-factor	0.2046
Rwork	0.202
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.660
Data reduction software	autoPROC
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	BUSTER (2.11.8 (22-FEB-2023))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.700	2.340
High resolution limit [Å]	2.200	2.200
Rmeas	0.140
Number of reflections	10819	541
<I/σ(I)>	5.3
Completeness [%]	78.2
Redundancy	2.9
CC(1/2)		0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M bis-tris propane pH6.5, 0.2 M sodium citrate tribasic dihydrate, 20 % w/v PEG 3350