7DTQ
Apo Crystal Structure of Octaketide Synthase from A. arborescens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2015-09-24 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 131.901, 51.679, 131.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.600 - 1.750 |
| R-factor | 0.2253 |
| Rwork | 0.225 |
| R-free | 0.24200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2d3m |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.087 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.600 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 171608 | 171608 |
| <I/σ(I)> | 2.11 | |
| Completeness [%] | 95.3 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.850 | 0.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | 0.2 M sodium potassium tartarate, 0.1M Bistris propane (pH 6.5) 20% PEG 3350 |
