5T81
Rhombohedral crystal form of the EpoB NRPS cyclization-docking bidomain from Sorangium cellulosum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 159.836, 159.836, 318.679 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.732 - 2.604 |
| R-factor | 0.1911 |
| Rwork | 0.189 |
| R-free | 0.22560 |
| Structure solution method | MIR |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.749 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.564 | |
| Number of reflections | 47986 | |
| <I/σ(I)> | 40.5 | 3.4 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | reservoir of 56% tacsimate (pH 7.0; Hampton Research, Aliso Viejo, CA) and 1% PEG 1,500 |
