5WYS
luciferase with inhibitor 3i
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MACSCIENCE |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-05-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 118.141, 118.141, 96.194 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.547 - 2.999 |
| R-factor | 0.2029 |
| Rwork | 0.195 |
| R-free | 0.26960 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.142 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-2000 |
| Refinement software | PHENIX ((1.10pre_2124: ???)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 44.550 |
| High resolution limit [Å] | 2.999 |
| Number of reflections | 14133 |
| <I/σ(I)> | 25.53 |
| Completeness [%] | 100.0 |
| Redundancy | 0.1285 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8 | 293 | 0.5 M Li2SO4, 15% PEG8000, 0.1 M Tris |
