5DUA

First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 3a

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	2015-05-16
Detector	RAYONIX MX-300
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	62.789, 83.479, 177.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.179 - 1.900
R-factor	0.1779
Rwork	0.177
R-free	0.22100
RMSD bond length	0.008
RMSD bond angle	1.068
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	75.840
High resolution limit [Å]	1.880
Number of reflections	75270
<I/σ(I)>	4.9
Completeness [%]	97.6
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	25-27% PEG 3000, 0.2-0.25M Lithium sulfate, 0.1 M HEPES, PH 7.5