5DZ2
Geosmin synthase from Streptomyces coelicolor N-terminal domain complexed with three Mg2+ ions and alendronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 67.213, 67.213, 345.388 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.172 - 2.111 |
| R-factor | 0.2096 |
| Rwork | 0.207 |
| R-free | 0.24970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dw7 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.914 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.145 | 0.918 |
| Number of reflections | 46408 | |
| <I/σ(I)> | 14.64 | 1.68 |
| Completeness [%] | 98.8 | 96.9 |
| Redundancy | 12.2 | 11.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 0.2 M sodium acetate trihydrate, pH 7.0, 20% w/v PEG3350 |
