5DZ6
Acyl transferase from Bacillaene PKS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9699 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.190, 70.430, 76.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.090 - 1.440 |
| R-factor | 0.1638 |
| Rwork | 0.163 |
| R-free | 0.18490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g87 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.545 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.090 | 1.510 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.071 | 0.067 |
| Number of reflections | 51033 | |
| <I/σ(I)> | 16.6 | 5.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG 3350, 0.2M sodium bromide, 0.1M bistris propane pH 9.5 |
