2Q85
Crystal Structure of E. Coli Mur B bound to a Naphthyl Tetronic Acid inihibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-04-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.993, 89.301, 50.943 |
| Unit cell angles | 90.00, 111.11, 90.00 |
Refinement procedure
| Resolution | 35.870 - 2.510 |
| R-factor | 0.24 |
| Rwork | 0.166 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mbt |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.722 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.870 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 11573 | |
| Completeness [%] | 95.7 | 0.871 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 25% Polyethyleneglycol 8000, 0.1 M Tris, pH 8.5, 0.1 M Calcium Acetate, Vapor Diffusion, Hanging Drop, temperature 291K, VAPOR DIFFUSION, HANGING DROP |
