4Z37
Structure of the ketosynthase of module 2 of C0ZGQ5 (trans-AT PKS) from Brevibacillus brevis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-02 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.292, 85.800, 89.254 |
| Unit cell angles | 90.00, 121.51, 90.00 |
Refinement procedure
| Resolution | 42.900 - 1.998 |
| R-factor | 0.1749 |
| Rwork | 0.173 |
| R-free | 0.20760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hg4 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.796 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1938) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.900 | 2.050 |
| High resolution limit [Å] | 1.998 | 1.998 |
| Rmerge | 0.089 | 0.950 |
| Number of reflections | 49103 | |
| <I/σ(I)> | 11.9 | 1.5 |
| Completeness [%] | 99.3 | 96.2 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M sodium malonate, pH 7, and 15% polyethylene glycol (PEG) 3350 |
