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 |