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 |