5IXH

Crystal Structure of Burkholderia cenocepacia BcnA

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	2015-08-15
Detector	RAYONIX MX300HE
Wavelength(s)	0.97949
Spacegroup name	P 61
Unit cell lengths	93.970, 93.970, 76.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.676 - 1.400
R-factor	0.1577
Rwork	0.156
R-free	0.18320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fgs
RMSD bond length	0.010
RMSD bond angle	1.464
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.940	35.940	1.430
High resolution limit [Å]	1.400	7.410	1.400
Rmerge	0.063	0.041	0.545
Rmeas	0.066
Rpim	0.020
Total number of observations	796780
Number of reflections	75559
<I/σ(I)>	17.1
Completeness [%]	99.9	93.2	99.4
Redundancy	10.5	10.1	5.7
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	294	Tris, ammonium sulphate