3BLA
Synthetic Gene Encoded DcpS bound to inhibitor DG153249
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-27 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.730, 55.812, 59.400 |
| Unit cell angles | 117.68, 93.35, 99.72 |
Refinement procedure
| Resolution | 32.840 - 2.600 |
| R-factor | 0.213 |
| Rwork | 0.210 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1st0 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.121 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 15959 | |
| <I/σ(I)> | 9.7 | 2 |
| Completeness [%] | 96.3 | 94.3 |
| Redundancy | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG 3350, Ammonium Formate, vapor diffusion, hanging drop, temperature 289K |
