6R7D
Crystal structure of LTC4S in complex with AZ13690257
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-05-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 121.591, 169.385, 174.478 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 121.534 - 2.350 |
| Rwork | 0.208 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pcv |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.244 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135 2015/10/01) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 170.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 150050 | 7388 |
| <I/σ(I)> | 18.1 | |
| Completeness [%] | 99.2 | |
| Redundancy | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | CaCl2, PEG400, Hepes |
