5TZB

Burkholderia sp. beta-aminopeptidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-10
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95369
Spacegroup name	P 1 21 1
Unit cell lengths	91.451, 133.260, 117.068
Unit cell angles	90.00, 91.61, 90.00

Refinement procedure

Resolution	45.711 - 1.977
R-factor	0.1999
Rwork	0.198
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b65
RMSD bond length	0.007
RMSD bond angle	1.056
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.711	62.710	2.010
High resolution limit [Å]	1.980	10.830	1.980
Rmerge	0.140	0.045	0.924
Number of reflections	190171
<I/σ(I)>	8.1
Completeness [%]	97.4	98.8	87.1
Redundancy	4.1	3.7	3.8
CC(1/2)	0.986	0.916	0.591

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	35 % 2-methyl-2,4-pentanediol, 0.1 M sodium cacodylate pH 7.0 and 5 % PEG8000