3AFI
Crystal structure of DBJA (HIS-DBJA)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-01-30 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 212.855, 117.843, 55.796 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.180 - 1.750 |
| R-factor | 0.16794 |
| Rwork | 0.167 |
| R-free | 0.19076 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bn6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.275 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.041 | 0.175 |
| Number of reflections | 134673 | |
| Completeness [%] | 95.2 | 90.7 |
| Redundancy | 6.1 | 5.6 |
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 |
