6NXS
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218Y mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-26 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 47.380, 97.211, 68.148 |
Unit cell angles | 90.00, 91.92, 90.00 |
Refinement procedure
Resolution | 68.200 - 1.520 |
R-factor | 0.1905 |
Rwork | 0.190 |
R-free | 0.20820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.808 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.200 | 1.550 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.076 | 0.280 |
Rmeas | 0.086 | 0.316 |
Rpim | 0.039 | 0.145 |
Number of reflections | 93845 | 4589 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 99.1 | 98.1 |
Redundancy | 4.6 | 4.6 |
CC(1/2) | 0.996 | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.2 M Calcium acetate hydrate 0.1M Sodium cacodylate trihydrate 6.5 18 % w/v Polyethylene glycol 8,000 |