2YZM
Structure of D-Alanine:D-Alanine Ligase with substrate 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 | 2005-09-30 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 166.705, 55.849, 141.387 |
| Unit cell angles | 90.00, 109.34, 90.00 |
Refinement procedure
| Resolution | 44.160 - 2.210 |
| R-factor | 0.224 |
| Rwork | 0.224 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yzg |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.045 | 0.227 |
| Number of reflections | 61811 | |
| <I/σ(I)> | 36.29 | 9.08 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.2 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 293 | 14% PEG 4000, 0.1M Mg Chloride, 0.1M MES pH 5.4, D-Alanine, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
