3BL7
Synthetic Gene Encoded DcpS bound to inhibitor DG156844
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-23 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.257, 56.271, 60.334 |
| Unit cell angles | 118.81, 92.39, 99.99 |
Refinement procedure
| Resolution | 28.950 - 2.310 |
| R-factor | 0.21404 |
| Rwork | 0.211 |
| R-free | 0.27605 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1st0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.210 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.310 | 2.310 |
| Rmerge | 0.123 | 0.430 |
| Number of reflections | 23402 | |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 96.2 | 94.4 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | PEG 3350, Ammonium Formate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
