3A2M
CRYSTAL STRUCTURE OF DBJA (WILD TYPE Type I)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 125.577, 48.866, 106.580 |
| Unit cell angles | 90.00, 97.36, 90.00 |
Refinement procedure
| Resolution | 33.700 - 1.840 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.18700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3A1O |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.495 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.700 | 1.920 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.063 | 0.254 |
| Number of reflections | 55824 | |
| <I/σ(I)> | 10.7 | |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 4.9 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 293 | PEG 4000, PH 7.9, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
