5FPO
Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 93 |
| Detector technology | PIXEL |
| Collection date | 2010-08-25 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 171.886, 39.660, 48.780 |
| Unit cell angles | 90.00, 90.11, 90.00 |
Refinement procedure
| Resolution | 48.780 - 1.830 |
| R-factor | 0.2133 |
| Rwork | 0.211 |
| R-free | 0.24870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4cc5 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.990 |
| 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] | 48.800 | 1.920 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.090 | 0.330 |
| Number of reflections | 29257 | |
| <I/σ(I)> | 6.4 | 2.8 |
| Completeness [%] | 96.7 | 89.3 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.6M (NH4)2SO4. PROTEIN CONC. = 27.2 MG/ML. |
