5AO8

Crystal Structure of SltB3 from Pseudomonas aeruginosa in complex with NAG-NAM-pentapeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 2
Unit cell lengths	111.101, 61.440, 49.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.766 - 2.230
R-factor	0.1818
Rwork	0.179
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5anz
RMSD bond length	0.016
RMSD bond angle	1.588
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.000	2.300
High resolution limit [Å]	2.230	2.230
Rmerge	0.010	0.340
Number of reflections	17322
<I/σ(I)>	12.3	4.2
Completeness [%]	99.9	99.8
Redundancy	8.5	8.7
CC(1/2)	1.000	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1