4BXJ

CRYSTAL STRUCTURE OF AMPDH3 FROM PSEUDOMONAS AERUGINOSA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 41 21 2
Unit cell lengths	101.805, 101.805, 164.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.627 - 2.350
R-factor	0.2169
Rwork	0.214
R-free	0.25810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bj4
RMSD bond length	0.008
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.630	2.480
High resolution limit [Å]	2.350	2.350
Rmerge	0.010	0.100
Number of reflections	36822
<I/σ(I)>	42.6	5.8
Completeness [%]	100.0	100
Redundancy	4.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.5		pH 4.5