3BL9
Synthetic Gene Encoded DcpS bound to inhibitor DG157493
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-26 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.406, 56.867, 59.504 |
| Unit cell angles | 62.35, 77.93, 79.54 |
Refinement procedure
| Resolution | 33.130 - 1.800 |
| R-factor | 0.176 |
| Rwork | 0.174 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1st0 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.394 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.052 | 0.032 | 0.230 |
| Number of reflections | 47420 | ||
| <I/σ(I)> | 20.8 | ||
| Completeness [%] | 91.6 | 98.6 | 77.5 |
| Redundancy | 4.6 | 5.9 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG 3350, Ammonium Formate, vapor diffusion, hanging drop, temperature 289K |
