6B11
TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2016-09-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.730, 109.240, 150.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.470 - 1.990 |
| R-factor | 0.1962 |
| Rwork | 0.194 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5foi |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.966 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.470 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.070 | 1.740 |
| Number of reflections | 69968 | 7210 |
| <I/σ(I)> | 14.63 | 0.58 |
| Completeness [%] | 95.5 | 69.7 |
| Redundancy | 6.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 14% PEG MME 550, 0.1 M HEPES, pH 7.5, 6 mM glutathione |
