4ZXH

Crystal Structure of holo-AB3403 a four domain nonribosomal peptide synthetase from Acinetobacter Baumanii

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	2014-10-16
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9796
Spacegroup name	P 43 21 2
Unit cell lengths	116.187, 116.187, 348.607
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.795 - 2.700
R-factor	0.1806
Rwork	0.179
R-free	0.23440
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.178
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.800	2.790
High resolution limit [Å]	2.700	2.700
Rmerge	0.066	0.318
Number of reflections	66559
<I/σ(I)>	9.91	2.49
Completeness [%]	100.0	100
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	287.15	0.75-0.95 M potassium citrate, 0.01-0.025 M glycine, 0.05 M BTP