4YCU
Crystal structure of cladosporin in complex with human lysyl-tRNA synthetase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 96.194, 99.847, 268.987 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.097 - 2.100 |
| R-factor | 0.1923 |
| Rwork | 0.191 |
| R-free | 0.21280 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.045 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.102 | 0.037 | 0.709 |
| Total number of observations | 561536 | ||
| Number of reflections | 75891 | ||
| <I/σ(I)> | 6 | ||
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 7.4 | 7.1 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 291 | PEG 20000, Tris, sodium chloride |
