4WJB

X-ray crystal structure of a putative amidohydrolase/peptidase from Burkholderia cenocepacia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-13
Detector	RAYONIX MX-225
Wavelength(s)	0.9787
Spacegroup name	P 1 21 1
Unit cell lengths	64.660, 113.060, 126.670
Unit cell angles	90.00, 95.50, 90.00

Refinement procedure

Resolution	8.720 - 1.950
R-factor	0.1749
Rwork	0.173
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r3n
RMSD bond length	0.019
RMSD bond angle	0.841
Refinement software	PHENIX ((phenix.refine: dev_1779))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.720	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.074	0.517
Number of reflections	131228
<I/σ(I)>	12.4
Completeness [%]	99.5	99.8
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	JCSG+h7: 25% PEG3350, 02M ammonium sulfate, 0.1M Bis Tris pH5.5