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 |
