2YZN
Crystal structure of D-alanine:D-Alanine Ligase with AMPPNP from Thermus thermophilus HB8.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-08 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 167.720, 56.708, 141.826 |
| Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
| Resolution | 47.910 - 2.600 |
| R-factor | 0.23 |
| Rwork | 0.230 |
| R-free | 0.28000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yzg |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.039 | 0.285 |
| Number of reflections | 38994 | |
| <I/σ(I)> | 25.7 | 3.16 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 293 | PEG 3350 16%, 0.1M Amm Sulfate, 0.1M Bis-Tris pH5.8, 3mM AMPPNP, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
