3TD5
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-04 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.090, 162.610, 66.228 |
| Unit cell angles | 90.00, 112.68, 90.00 |
Refinement procedure
| Resolution | 81.300 - 2.000 |
| Rwork | 0.220 |
| R-free | 0.25740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3td3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.175 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.300 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 78672 | |
| Completeness [%] | 92.2 | 92.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES, 62.5%(v/v) 2-methyl-2,4-pentanediol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
