3NWJ
Crystal structure of shikimate kinase from Arabidopsis thaliana (AtSK2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-13 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 174.378, 62.249, 40.732 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.000 - 2.350 |
| R-factor | 0.19433 |
| Rwork | 0.191 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2shk |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.720 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.000 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.119 | 0.620 |
| Number of reflections | 16917 | |
| <I/σ(I)> | 13.3 | 5.1 |
| Completeness [%] | 89.8 | 91.6 |
| Redundancy | 5.4 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 22% polyethylene glycol 3350, 0.2 M potassium fluoride, 3% 2-methyl-2,4-pentanediol, 1 mM magnesium chloride, 1 mM adenosine triphosphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
