3VMM
Crystal structure of BacD, an L-amino acid dipeptide ligase from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2011-01-29 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 130.787, 130.787, 147.742 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.930 - 2.500 |
| R-factor | 0.19375 |
| Rwork | 0.192 |
| R-free | 0.22943 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.297 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.081 | 0.487 |
| Number of reflections | 26252 | |
| <I/σ(I)> | 11.6 | 4.4 |
| Completeness [%] | 99.9 | 1 |
| Redundancy | 5.9 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM Bis-Tris propane, 60mM sodium citrate, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
