5LBA
Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-01-19 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.92820 |
| Spacegroup name | P 1 |
| Unit cell lengths | 63.926, 85.261, 105.915 |
| Unit cell angles | 109.90, 90.02, 97.01 |
Refinement procedure
| Resolution | 79.490 - 2.500 |
| R-factor | 0.24 |
| Rwork | 0.237 |
| R-free | 0.30292 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 5lb5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.496 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.490 | 2.530 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.097 | 0.513 |
| Number of reflections | 69069 | |
| <I/σ(I)> | 5.8 | 1.3 |
| Completeness [%] | 92.3 | 94.3 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M tris pH 9.0 -- 29% PEG3350 -- 0.1M sodium chloride |
