3TAK
Crystal structure of the complex of DHDPS from Acinetobacter baumannii with Pyruvate at 1.4 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 | 51.250, 122.420, 52.310 |
| Unit cell angles | 90.00, 116.01, 90.00 |
Refinement procedure
| Resolution | 25.110 - 1.420 |
| R-factor | 0.16479 |
| Rwork | 0.164 |
| R-free | 0.18774 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rk8 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.076 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 1.420 |
| Number of reflections | 108756 | |
| <I/σ(I)> | 10.8 | 2.1 |
| Completeness [%] | 99.9 | 99.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1M MgCl2, PEG 3350, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
