3TDF
Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 2-Ketobutanoic acid at 1.99 A resolution
Experimental 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 | 2011-07-16 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.235, 121.947, 51.131 |
| Unit cell angles | 90.00, 115.90, 90.00 |
Refinement procedure
| Resolution | 60.970 - 1.990 |
| R-factor | 0.18418 |
| Rwork | 0.182 |
| R-free | 0.21950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rk8 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.423 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.970 | 2.030 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 36826 | |
| <I/σ(I)> | 15.4 | 2.5 |
| Completeness [%] | 99.0 | 94 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 0.1M MgCl2, PEG 3350, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
