5D66
Crystal structure of an ankyrin repeat domain (ABAYE2397) from Acinetobacter baumannii AYE at 1.00 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-12-09 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 |
| Unit cell lengths | 43.268, 43.221, 49.632 |
| Unit cell angles | 83.85, 89.96, 78.38 |
Refinement procedure
| Resolution | 27.228 - 1.000 |
| R-factor | 0.1404 |
| Rwork | 0.139 |
| R-free | 0.16800 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.670 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.228 | 27.228 | 1.030 |
| High resolution limit [Å] | 1.000 | 4.470 | 1.000 |
| Rmerge | 0.060 | 0.716 | |
| Rmeas | 0.089 | 0.070 | 0.829 |
| Rpim | 0.045 | 0.037 | 0.417 |
| Total number of observations | 618768 | 7331 | 16011 |
| Number of reflections | 156154 | ||
| <I/σ(I)> | 9.4 | 18.8 | 1.9 |
| Completeness [%] | 82.5 | 91.1 | 29.1 |
| Redundancy | 4 | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M sodium chloride, 20.0% polyethylene glycol 3350 |
