6EF6
Structure of the microcompartment-associated aminopropanol kinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-01-20 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.010, 70.050, 60.720 |
| Unit cell angles | 90.00, 95.12, 90.00 |
Refinement procedure
| Resolution | 39.828 - 1.350 |
| R-factor | 0.1498 |
| Rwork | 0.149 |
| R-free | 0.16750 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.164 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.390 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Number of reflections | 65639 | 4820 |
| <I/σ(I)> | 11 | 2.04 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 3.3 | 2.8 |
| CC(1/2) | 0.747 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.1 M sodium malonate, 0.1 M HEPES pH 7, 0.5% (v/v) Jeffamine E.D. 2001, 30 mg/ml protein, serial seeding with 1/1000 diluted crushed crystals |
