6TUU
Leishmania infantum Rad51 surrogate LiRadA10 in complex with 5,6,7,8-tetrahydro-2-naphthoic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-09-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.968610 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.271, 118.976, 83.790 |
| Unit cell angles | 90.00, 91.42, 90.00 |
Refinement procedure
| Resolution | 41.880 - 1.740 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jfg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 1.765 |
| High resolution limit [Å] | 1.735 | 1.735 |
| Rmerge | 0.088 | 0.866 |
| Number of reflections | 80648 | 259450 |
| <I/σ(I)> | 8.2 | 1.3 |
| Completeness [%] | 99.1 | 98.8 |
| Redundancy | 4 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 20 %w/v PEG 1K (Precipitant), 0.1 M Na K Phos 6.2 pH (Buffer), 0.2 M NaCl (Salt) |
