3DTI
Crystal structure of the IRRE protein, a central regulator of DNA damage repair in deinococcaceae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97618 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.190, 53.410, 63.420 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.500 |
| R-factor | 0.24451 |
| Rwork | 0.241 |
| R-free | 0.31420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3dte |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.073 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | deduced (from 3DTE (crystals soaked in zinc)) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.690 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.102 | 0.480 |
| Number of reflections | 4071 | |
| <I/σ(I)> | 8.1 | 2 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 3.5 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 281 | 20% PEG 3350, 0.2M Potassium fluoride, pH 7.5, VAPOR DIFFUSION, temperature 281K |
