4JPD

The structure of CyaY from Burkholderia cenocepacia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Detector technology	CCD
Collection date	2012-10-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97
Spacegroup name	P 43 3 2
Unit cell lengths	96.020, 96.020, 96.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.980 - 1.900
R-factor	0.164
Rwork	0.162
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ew4
RMSD bond length	0.011
RMSD bond angle	1.349
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.980	8.720	2.000
High resolution limit [Å]	1.900	6.170	1.900
Rmerge	0.111	0.050	0.437
Number of reflections	11700	273	836
<I/σ(I)>	21.42	40.84	6.75
Completeness [%]	100.0	100	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	50% PEG400, 200mM LiSO4, 100mM Na acetate, 9.46mg/ml BuceA.18084.a.PW33863, direct cryoprotection, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K