4BXE

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-07
Detector	MARRESEARCH
Spacegroup name	P 41 21 2
Unit cell lengths	100.940, 100.940, 165.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.269 - 2.950
R-factor	0.2064
Rwork	0.203
R-free	0.26580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AMPDH3-NATIVE
RMSD bond length	0.009
RMSD bond angle	1.491
Data scaling software	SCALA
Phasing software	iMOSFLM
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.350	3.110
High resolution limit [Å]	2.950	2.950
Rmerge	0.170	0.820
Number of reflections	18710
<I/σ(I)>	16.6	3.1
Completeness [%]	100.0	100
Redundancy	10.7	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1