5YO9
Crystal structure of KAS III from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-05 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.135, 106.942, 109.959 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.490 - 2.002 |
| R-factor | 0.2138 |
| Rwork | 0.211 |
| R-free | 0.25920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3led |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.879 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.080 | 0.036 | 0.611 |
| Rmeas | 0.092 | 0.042 | 0.709 |
| Rpim | 0.045 | 0.020 | 0.351 |
| Total number of observations | 232845 | ||
| Number of reflections | 58779 | 5897 | 5849 |
| <I/σ(I)> | 12.3 | ||
| Completeness [%] | 97.3 | 92.6 | 97.9 |
| Redundancy | 4 | 3.8 | 4 |
| CC(1/2) | 0.997 | 0.523 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293 | 0.2M calcium acetate, , 0.1M Tris pH 7.0, 20% (w/v) PEG 3000 |
