5YPV

Crystal structure of FabD from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-07-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979
Spacegroup name	P 31 2 1
Unit cell lengths	67.459, 67.459, 110.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.211 - 1.670
R-factor	0.2183
Rwork	0.216
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.083
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.670	3.600	1.670
Rmerge	0.062	0.051	0.572
Rmeas	0.064	0.053	0.605
Rpim	0.017	0.013	0.194
Total number of observations	391209
Number of reflections	34750	3670	3436
<I/σ(I)>	19.8
Completeness [%]	99.9	99.4	100
Redundancy	11.3	16.7	9.1
CC(1/2)		0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	1.4M ammonium tartrate dibasic, 0.1M Tris pH 8.5