4NA2
Crystal Structure of the second ketosynthase from the bacillaene polyketide synthase bound to its natural intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0331 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 165.120, 71.340, 116.470 |
| Unit cell angles | 90.00, 95.10, 90.00 |
Refinement procedure
| Resolution | 43.500 - 2.300 |
| R-factor | 0.21302 |
| Rwork | 0.210 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4na1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.724 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.500 | 2.393 |
| High resolution limit [Å] | 2.300 | 2.350 |
| Rmerge | 0.815 | |
| Number of reflections | 60206 | |
| <I/σ(I)> | 2 | |
| Completeness [%] | 100.0 | 87.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 15% (w,v) PEG 3350, 0.18 M tri-ammonium citrate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
