5B6P
Structure of the dodecameric type-II dehydrogenate dehydratase from Acinetobacter baumannii at 2.00 A resolution
Replaces: 5IBAExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2014-04-08 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.284, 95.279, 132.263 |
| Unit cell angles | 90.00, 95.73, 90.00 |
Refinement procedure
| Resolution | 131.600 - 2.000 |
| R-factor | 0.20098 |
| Rwork | 0.201 |
| R-free | 0.23215 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lwz |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.909 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 131.600 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.441 | |
| Number of reflections | 129427 | |
| <I/σ(I)> | 31 | 4.6 |
| Completeness [%] | 96.2 | 100 |
| Redundancy | 7.6 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 30% PEG 3350, MgSO4, Tris buffer, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
