6KVP
S. aureus FtsZ in complex with 3-(1-(5-bromo-4-(4-(trifluoromethyl)phenyl)oxazol-2-yl)ethoxy)-2,6-difluorobenzamide (compound 2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-08 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.900 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.491, 51.739, 86.737 |
| Unit cell angles | 90.00, 108.65, 90.00 |
Refinement procedure
| Resolution | 41.090 - 1.400 |
| R-factor | 0.1465 |
| Rwork | 0.145 |
| R-free | 0.17700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3voa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.434 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 3.800 | 1.400 |
| Rmerge | 0.072 | 0.061 | 0.704 |
| Rmeas | 0.079 | 0.069 | 0.771 |
| Rpim | 0.032 | 0.030 | 0.310 |
| Total number of observations | 360570 | ||
| Number of reflections | 58167 | 2589 | 2923 |
| <I/σ(I)> | 8.2 | ||
| Completeness [%] | 99.2 | 85.1 | 100 |
| Redundancy | 6.2 | 5 | 6.2 |
| CC(1/2) | 0.994 | 0.871 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 100 mM Tris-HCl, 45% (w/v) PEP629, 300 mM KCl |
