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 |