1S17
Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 108 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-09-11 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.009, 73.994, 76.864 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.680 - 1.950 |
| Rwork | 0.196 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n5n |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.800 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.680 | 2.010 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.415 | |
| Number of reflections | 28955 | |
| <I/σ(I)> | 11.4 | |
| Completeness [%] | 98.7 | 97.3 |
| Redundancy | 17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | PEG 3350, MgSO4, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
