6P29
N-demethylindolmycin synthase (PluN2) in complex with N-demethylindolmycin
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 | 2017-01-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 54.070, 54.070, 176.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.135 - 1.500 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.841 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.070 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 43152 | 4198 |
| <I/σ(I)> | 7.7 | 3.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 14.3 | 14.3 |
| CC(1/2) | 0.985 | 0.906 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M MgCl2, 0.1 M Bis-Tris buffer (pH 6.5), 0.2 M NDSB-201, 25 % PEG 3350 |
