5DU9

First condensation domain of the calcium-dependent antibiotic synthetase in complex with substrate analogue 2a

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	H 3
Unit cell lengths	213.428, 213.428, 52.901
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.170 - 1.600
R-factor	0.1714
Rwork	0.171
R-free	0.19260
RMSD bond length	0.003
RMSD bond angle	0.839
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]	42.170
High resolution limit [Å]	1.530
Number of reflections	135546
<I/σ(I)>	3.8
Completeness [%]	100.0
Redundancy	3.8

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.