5CFU
Crystal Structure of ANT(2")-Ia in complex with adenylyl-2"-tobramycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2015-02-11 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.541780 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.090, 41.910, 47.130 |
| Unit cell angles | 90.00, 105.08, 90.00 |
Refinement procedure
| Resolution | 30.828 - 1.820 |
| R-factor | 0.1394 |
| Rwork | 0.138 |
| R-free | 0.17240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xje |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.284 |
| Data reduction software | XDS |
| Data scaling software | xia2 (0.3.7.0) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.830 | 30.830 | 1.870 |
| High resolution limit [Å] | 1.820 | 8.140 | 1.820 |
| Rmerge | 0.070 | 0.014 | 0.627 |
| Rpim | 0.016 | 0.004 | 0.216 |
| Total number of observations | 311166 | 3691 | 10864 |
| Number of reflections | 15735 | ||
| <I/σ(I)> | 41.8 | 187.5 | 3.8 |
| Completeness [%] | 99.7 | 98.8 | 96.5 |
| Redundancy | 19.8 | 18.8 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | 100 mM sodium acetate pH 4.5, 22% 1,4- butanediol, 1mM MnCl2, 10 mM ATP, 10mM tobramycin |
