5JA1

EntF, a Terminal Nonribosomal Peptide Synthetase Module Bound to the MbtH-Like Protein YbdZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	113.15
Detector technology	CCD
Collection date	2015-10-25
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0332
Spacegroup name	I 1 2 1
Unit cell lengths	161.185, 57.679, 183.945
Unit cell angles	90.00, 97.93, 90.00

Refinement procedure

Resolution	56.308 - 3.000
R-factor	0.1879
Rwork	0.185
R-free	0.23490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ZXJ
RMSD bond length	0.002
RMSD bond angle	0.567
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]	56.310	3.107
High resolution limit [Å]	3.000	3.000
Rmerge	0.142	0.397
Number of reflections	31781
<I/σ(I)>	7.05	3.14
Completeness [%]	93.1	93.72
Redundancy	3.3	3.3
CC(1/2)	0.971

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