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 |