5YOA
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 | C 2 2 21 |
| Unit cell lengths | 87.657, 121.111, 166.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.908 - 2.330 |
| R-factor | 0.1698 |
| Rwork | 0.167 |
| R-free | 0.22120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3led |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.907 |
| 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 | 2.410 |
| High resolution limit [Å] | 2.330 | 5.020 | 2.330 |
| Rmerge | 0.102 | 0.057 | 0.511 |
| Rmeas | 0.110 | 0.061 | 0.552 |
| Rpim | 0.041 | 0.021 | 0.205 |
| Total number of observations | 236848 | ||
| Number of reflections | 35771 | 4006 | 3188 |
| <I/σ(I)> | 12.5 | ||
| Completeness [%] | 93.1 | 99.3 | 83.9 |
| Redundancy | 6.6 | 8.2 | 6.4 |
| CC(1/2) | 0.998 | 0.887 |
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 |
