3GUB
Crystal structure of DAPKL93G complexed with N6-(2-Phenylethyl)adenosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.839, 62.881, 88.467 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.237 - 1.710 |
| R-factor | 0.19686 |
| Rwork | 0.195 |
| R-free | 0.23889 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jks |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.561 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.770 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Number of reflections | 28631 | |
| <I/σ(I)> | 12.5 | 2.42 |
| Completeness [%] | 98.9 | 92.71 |
| Redundancy | 5.1 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 100mM Tris, 1.1 M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
