4J2O

Crystal structure of NADP-bound WbjB from A. baumannii community strain D1279779

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	2012-07-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	107.930, 114.540, 215.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.864 - 2.653
R-factor	0.1615
Rwork	0.160
R-free	0.20170
Structure solution method	Molecular replacement and SAD
Starting model (for MR)	2gn4
RMSD bond length	0.010
RMSD bond angle	1.301
Data reduction software	XDS
Data scaling software	XDS
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall
Low resolution limit [Å]	24.864
High resolution limit [Å]	2.640
Rmerge	0.103
Number of reflections	77374
<I/σ(I)>	13.4
Completeness [%]	98.9
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295	0.2 M NaCl, 0.1 M Sodium citrate tribasic dihydrate (pH 5.6), 25%(v/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K
1	VAPOR DIFFUSION, SITTING DROP	5.6	295	0.2 M NaCl, 0.1 M Sodium citrate tribasic dihydrate (pH 5.6), 25%(v/v) PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K