4BXD

CRYSTAL STRUCTURE OF AMPDH3 FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH TETRASACCHARIDE PENTAPEPTIDE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-09
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	101.186, 101.186, 162.261
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.300 - 3.100
R-factor	0.2262
Rwork	0.224
R-free	0.27720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AMPDH3-NATIVE
RMSD bond length	0.023
RMSD bond angle	1.899
Data scaling software	SCALA
Phasing software	iMOSFLM
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	3.270
High resolution limit [Å]	3.100	3.100
Rmerge	0.080	0.260
Number of reflections	15988
<I/σ(I)>	21.8	7.6
Completeness [%]	100.0	100
Redundancy	10.8	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1