1W3M
Crystal structure of tsushimycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-12 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 33.488, 36.386, 37.511 |
| Unit cell angles | 65.64, 68.35, 69.88 |
Refinement procedure
| Resolution | 99.000 - 1.000 |
| R-factor | 0.1374 |
| R-free | 0.17110 |
| Structure solution method | DIRECT METHODS |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.033 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXD |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.020 | 1.100 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.100 | 0.500 |
| Number of reflections | 355145 | |
| <I/σ(I)> | 9.49 | 3.35 |
| Completeness [%] | 96.2 | 92.1 |
| Redundancy | 4.5 | 3.62 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 0.1 M NAAC/HAC PH=4.0 0.12 M HAC 38% ETOH 0.80 M CACL2 0.40 M 1,6-HEXANEDIOL |
