6NXW
Crystal structure of Arabidopsis thaliana cytosolic triosephosphate isomerase C218S 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 | RAYONIX MX300HE |
Wavelength(s) | 0.9787 |
Spacegroup name | P 65 |
Unit cell lengths | 94.351, 94.351, 204.218 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 75.980 - 1.950 |
R-factor | 0.1606 |
Rwork | 0.160 |
R-free | 0.18030 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.279 |
Data reduction software | xia2 |
Data scaling software | Aimless (0.7.2) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.980 | 1.990 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.048 | 0.169 |
Rmeas | 0.052 | 0.194 |
Rpim | 0.021 | 0.095 |
Number of reflections | 74675 | 4584 |
<I/σ(I)> | 21.2 | |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 5.9 | 4 |
CC(1/2) | 0.999 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 0.2 M Magnesium chloride hexahydrate 0.1 M TRIS hydrochloride 8.5 30 % w/v Polyethylene glycol 4,000 |