2XKK
CRYSTAL STRUCTURE OF MOXIFLOXACIN, DNA, and A. BAUMANNII TOPO IV (PARE-PARC FUSION TRUNCATE)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 199.775, 95.566, 118.092 |
| Unit cell angles | 90.00, 108.27, 90.00 |
Refinement procedure
| Resolution | 36.170 - 3.250 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xkj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.493 |
| Data reduction software | HKL |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 3.330 |
| High resolution limit [Å] | 3.270 | 3.270 |
| Rmerge | 0.050 | 0.460 |
| Number of reflections | 32221 | |
| <I/σ(I)> | 16.7 | 2.3 |
| Completeness [%] | 97.6 | 98.5 |
| Redundancy | 2.7 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8% PEG 5000MME, 200 MM TRIS PH 8.5, 100 MM MGCL2 |
