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) |