5XI0

Crystal structure of FabV, a new class of enyl-acyl carrier protein reductase from Vibrio fischeri

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	2012-10-04
Detector	ADSC QUANTUM 210
Wavelength(s)	1.23986
Spacegroup name	P 2 21 21
Unit cell lengths	62.998, 109.175, 119.831
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.343 - 2.087
R-factor	0.2094
Rwork	0.206
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s8m
RMSD bond length	0.008
RMSD bond angle	0.911
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.130
High resolution limit [Å]	2.090	5.670	2.090
Rmerge	0.094	0.054	0.367
Total number of observations	443849
Number of reflections	49667
<I/σ(I)>	9.2
Completeness [%]	98.6	99.1	81.2
Redundancy	8.9	12.2	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	295	0.1M Bis-tris Propane pH 5.5, 0.1M Sodium Fluoride, 20% (w/v) Polyethylene glycol 3350