4LN9
Crystal structure of the dehydratase domain from the terminal module of the rifamycin 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 | 2011-01-29 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.2131 |
| Spacegroup name | P 32 |
| Unit cell lengths | 77.180, 77.180, 97.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.500 - 1.820 |
| R-factor | 0.21353 |
| Rwork | 0.211 |
| R-free | 0.25361 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3el6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.759 |
| 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] | 39.500 | 1.920 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Number of reflections | 58168 | |
| <I/σ(I)> | 10.6 | 2 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 5.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 295 | 1.1 M sodium citrate, 0.1 M HEPES pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
