3SK3
Crystal structure of Salmonella typhimurium acetate kinase (AckA) with citrate bound at the dimeric interface
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.95 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 151.012, 78.500, 97.480 |
| Unit cell angles | 90.00, 116.37, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.1917 |
| Rwork | 0.190 |
| R-free | 0.22459 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2iir |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.414 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.062 | 0.786 |
| Number of reflections | 80227 | |
| <I/σ(I)> | 15.9 | 2.18 |
| Completeness [%] | 98.6 | 90.4 |
| Redundancy | 4.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | UNDER-OIL MICROBATCH | 7.5 | 298 | 0.1M HEPES, 1.4M Sodium citrate, pH 7.5, UNDER-OIL MICROBATCH, temperature 298K |
