2Y1I
Crystal structure of a S-diastereomer analogue of the spore photoproduct in complex with fragment DNA polymerase I from Bacillus stearothermophilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.669, 93.793, 107.101 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.300 - 2.780 |
| R-factor | 0.22807 |
| Rwork | 0.226 |
| R-free | 0.27322 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u45 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.252 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.850 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.140 | 0.670 |
| Number of reflections | 25193 | |
| <I/σ(I)> | 12.1 | 3.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.1 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
