5FPR
Structure of Bacterial DNA Ligase with small-molecule ligand pyrimidin-2-amine (AT371) in an alternate binding site.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2010-09-30 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.871, 39.290, 48.645 |
| Unit cell angles | 90.00, 90.46, 90.00 |
Refinement procedure
| Resolution | 85.930 - 2.000 |
| R-factor | 0.1561 |
| Rwork | 0.153 |
| R-free | 0.20900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cc5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.970 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.900 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.150 |
| Number of reflections | 22674 | |
| <I/σ(I)> | 11.2 | 7 |
| Completeness [%] | 98.6 | 99.8 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
