5IXG

Crystal Structure of Burkholderia cenocepacia BcnB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-11
Detector	RAYONIX MX300HE
Wavelength(s)	0.97949
Spacegroup name	P 1 21 1
Unit cell lengths	51.160, 101.170, 63.490
Unit cell angles	90.00, 97.20, 90.00

Refinement procedure

Resolution	37.330 - 1.600
R-factor	0.16189
Rwork	0.160
R-free	0.19448
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wub
RMSD bond length	0.024
RMSD bond angle	2.391
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.330	37.300	1.630
High resolution limit [Å]	1.600	8.470	1.600
Rmerge	0.061	0.042	0.298
Number of reflections	82019
<I/σ(I)>	11.3
Completeness [%]	97.3	70.2	78.7
Redundancy	3.8	3.2	3.1
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	HEPES, PEG 6000