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 |