8RZ6
SeMet derivative structure of the condensation domain TomBC from the Tomaymycin non-ribosomal peptide synthetase
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 | PIXEL |
| Collection date | 2015-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979733 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.350, 160.870, 100.150 |
| Unit cell angles | 90.00, 125.11, 90.00 |
Refinement procedure
| Resolution | 48.910 - 2.300 |
| R-factor | 0.1746 |
| Rwork | 0.172 |
| R-free | 0.21640 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.011 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.910 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 139112 | 16569 |
| <I/σ(I)> | 9.9 | 2.1 |
| Completeness [%] | 99.1 | 98.7 |
| Redundancy | 10.58 | 10.82 |
| CC(1/2) | 0.994 | 0.747 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 100 mM Tris pH 8.5, 3.0 M KFormate, with 25% glycerol used as cryoprotectant |
