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. |