5ITW
Crystal structure of Bacillus subtilis BacC Dihydroanticapsin 7-dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95372 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.520, 87.200, 78.290 |
| Unit cell angles | 90.00, 101.08, 90.00 |
Refinement procedure
| Resolution | 32.950 - 1.190 |
| R-factor | 0.139 |
| Rwork | 0.138 |
| R-free | 0.16300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3awd |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.583 |
| Data reduction software | iMOSFLM (7.2.0) |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.950 | 1.250 |
| High resolution limit [Å] | 1.187 | 1.187 |
| Rmerge | 1.067 | |
| Number of reflections | 305981 | |
| <I/σ(I)> | 9.2 | 1.5 |
| Completeness [%] | 99.6 | 97.4 |
| Redundancy | 4.1 | 3.8 |
| CC(1/2) | 0.998 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 291.15 | 0.2M Ammonium sulfate, 0.1M BIS-TRIS pH6.5, 25% w/v Polyethylene glycol 3350, 10% glycerol cryoprotectant, 0.05M Tris, 0.25M NaCl |
