4WH5
Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, lincomycin-bound
Replaces: 4E8JExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-10-18 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.447, 63.444, 60.808 |
| Unit cell angles | 90.00, 101.60, 90.00 |
Refinement procedure
| Resolution | 23.350 - 1.820 |
| R-factor | 0.1902 |
| Rwork | 0.188 |
| R-free | 0.22950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fo1 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.424 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX (phenix.phaser) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.000 | 1.850 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.174 | |
| Number of reflections | 37695 | |
| <I/σ(I)> | 16.27 | 2.036 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.3 | 298 | 1.4 M TRI-SODIUM CITRATE DIHYDRATE, 0.1 M HEPES PH 7.3, 5 MM LINCOMYCIN |
