5C4L
Conformational alternate of sisomicin in complex with APH(2")-IVa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.972957 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 74.220, 65.040, 78.780 |
| Unit cell angles | 90.00, 91.18, 90.00 |
Refinement procedure
| Resolution | 37.100 - 2.350 |
| R-factor | 0.2296 |
| Rwork | 0.227 |
| R-free | 0.27840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n57 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.538 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.100 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.034 | 0.230 |
| Number of reflections | 28377 | |
| <I/σ(I)> | 8.9 | 2.5 |
| Completeness [%] | 94.7 | 96.6 |
| Redundancy | 1.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291.15 | 12% PEG3350, 50-90 mM Ammonium citrate |
