2QCT
Structure of Lyp with inhibitor I-C11
Experimental procedure
| Experimental method | LAUE |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 200 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-20 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.904, 147.945, 46.157 |
| Unit cell angles | 90.00, 98.04, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.247 |
| Rwork | 0.245 |
| R-free | 0.27500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qcj |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.530 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.069 | 0.344 |
| Number of reflections | 13879 | |
| <I/σ(I)> | 23.5 | 4 |
| Completeness [%] | 94.6 | 86.83 |
| Redundancy | 3.4 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.2 | 293 | 0.2M sodium formate, 20% PEG3350, 2.5% ethyl glycerol, pH 7.2, EVAPORATION, temperature 293K |
