4NA1
Crystal Structure of the second ketosynthase from the bacillaene polyketide synthase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.862, 113.089, 96.480 |
| Unit cell angles | 90.00, 107.00, 90.00 |
Refinement procedure
| Resolution | 30.710 - 1.950 |
| R-factor | 0.21192 |
| Rwork | 0.210 |
| R-free | 0.23999 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qo3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.319 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.710 | 1.972 |
| High resolution limit [Å] | 1.900 | 1.950 |
| Rmerge | 0.979 | |
| Number of reflections | 114754 | |
| <I/σ(I)> | 1.8 | |
| Completeness [%] | 100.0 | 78.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 1.1 M ammonium sulfate, 0.2 M lithium sulfate, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
