3SBM
Trans-acting transferase from Disorazole synthase in complex with Acetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-05-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.030, 54.010, 120.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 1.350 |
| R-factor | 0.16162 |
| Rwork | 0.161 |
| R-free | 0.17427 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rgi |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.613 |
| Data reduction software | XDS (package) |
| Data scaling software | XDS (package) |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.067 | 0.486 |
| Number of reflections | 61823 | |
| <I/σ(I)> | 2.8 | |
| Completeness [%] | 98.6 | 96.9 |
| Redundancy | 5.3 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 30%PEG 3350,200mM ammonium acetate, 100mM Tris. HCl (pH 7.5), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
