5JA2

EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the non-Native MbtH-Like Protein PA2412

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	113.15
Detector technology	PIXEL
Collection date	2015-02-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	I 1 2 1
Unit cell lengths	159.270, 57.690, 182.424
Unit cell angles	90.00, 97.62, 90.00

Refinement procedure

Resolution	58.974 - 3.000
R-factor	0.2065
Rwork	0.205
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ja1
RMSD bond length	0.002
RMSD bond angle	0.547
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.980	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.103	0.621
Number of reflections	31728
<I/σ(I)>	6.66	1.37
Completeness [%]	94.9	90.53
Redundancy	3.1	2.8
CC(1/2)	0.914

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	287.15	100 mM Bis Tris propane, 50-150 mM MgCl2, and 15-28% Polyethylene glycol 4000