4Y06
Crystal structure of the DAP BII (G675R) dipeptide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | PIXEL |
| Collection date | 2014-11-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 122.420, 122.420, 222.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.000 - 2.180 |
| R-factor | 0.17879 |
| Rwork | 0.176 |
| R-free | 0.23470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wol |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.762 |
| Data reduction software | XDS |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 2.240 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Number of reflections | 88533 | |
| <I/σ(I)> | 16.3 | 3.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.2 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | PEG 8000, glycerol, magnesium acetate, zinc chloride |
