5ISW

Structure of the apo PCP-E didomain of the gramicidin S synthetase A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	53.770, 57.637, 61.384
Unit cell angles	65.72, 65.47, 84.88

Refinement procedure

Resolution	34.001 - 1.750
R-factor	0.1702
Rwork	0.169
R-free	0.20110
RMSD bond length	0.009
RMSD bond angle	1.064
Data reduction software	XDS (OSX10.9.5_Darwin13.4.0)
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.480	1.780
High resolution limit [Å]	1.750	1.750
Rmerge		0.340
Number of reflections	59630
<I/σ(I)>	18.02	2.05
Completeness [%]	97.4	96.2
Redundancy	6	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2M KBr, 22% PEG MME-5000, 5% glycerol, and 100 mM TrisHCl pH 7.5