3QWU
Putative ATP-dependent DNA ligase from Aquifex aeolicus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-25 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.366, 99.165, 103.278 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.580 - 2.350 |
| R-factor | 0.20339 |
| Rwork | 0.201 |
| R-free | 0.25513 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vug |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.701 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.600 | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
| Rmerge | 0.075 | 0.038 | 0.446 |
| Number of reflections | 39490 | ||
| <I/σ(I)> | 8.7 | 2.05 | |
| Completeness [%] | 99.5 | 99.6 | 94.4 |
| Redundancy | 6.7 | 6.8 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | VAPOR DIFFUSION, HANGING DROP |
