5D8D
Crystal structure of D-alanine-D-alanine ligase from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97960 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 221.618, 74.766, 143.117 |
| Unit cell angles | 90.00, 103.27, 90.00 |
Refinement procedure
| Resolution | 36.050 - 2.190 |
| R-factor | 0.22365 |
| Rwork | 0.221 |
| R-free | 0.28065 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.755 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-2000 |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Number of reflections | 115881 | |
| <I/σ(I)> | 22.1 | 2.1 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 5.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.9 | 287 | 0.2M NaSCN, 20% PEG 3350 |
