4XSA
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 91.476, 91.476, 316.834 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.738 - 2.204 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.20290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4XQP |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.068 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.165 | 0.759 |
| Number of reflections | 40753 | |
| <I/σ(I)> | 22.5 | |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 21 | 20.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.18 M sodium citrate, 26% PEG3350 |
