5U89

Crystal structure of a cross-module fragment from the dimodular NRPS DhbF

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	2015-10-07
Detector	RAYONIX MX-300
Wavelength(s)	0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	119.510, 119.510, 589.647
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.564 - 3.075
R-factor	0.2184
Rwork	0.216
R-free	0.25880
RMSD bond length	0.003
RMSD bond angle	0.616
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	58.560
High resolution limit [Å]	3.075
Rmerge	0.069
Number of reflections	47171
<I/σ(I)>	5.04
Completeness [%]	98.6
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	1.6 M ammonium sulfate, 0.1 M Bis-Tris pH 5, 2 mM EDTA, 0.008% (v/v) octyl-beta-D galactoside