4LH7
Crystal structure of a LigA inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-28 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 48.838, 105.025, 136.085 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.990 - 1.900 |
| R-factor | 0.22637 |
| Rwork | 0.225 |
| R-free | 0.25910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.992 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.990 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.102 | 0.249 |
| Number of reflections | 26859 | |
| <I/σ(I)> | 9.9 | 4 |
| Completeness [%] | 95.8 | 91.7 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 26-32% Peg4000, 0.2M ammonium acetate, 0.1M sodium acetate pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
