2YZG
Crystal structure of D-ALA:D-ALA Ligase from Thermus thermophilus HB8
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-06-03 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.979029, 0.900000, 0.97924 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 165.224, 56.412, 142.213 |
| Unit cell angles | 90.00, 109.08, 90.00 |
Refinement procedure
| Resolution | 44.090 - 2.300 |
| R-factor | 0.243 |
| Rwork | 0.243 |
| R-free | 0.29000 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.047 | 0.321 |
| Number of reflections | 54945 | |
| <I/σ(I)> | 25.6 | 4.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.1 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | 14% PEG4000, 0.1M Na Chloride, 0.1M MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
