7UXV
human triosephosphate isomerase mutant G122R
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-14 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.4586 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.120, 75.250, 92.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.450 - 2.150 |
| R-factor | 0.1911 |
| Rwork | 0.188 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6up1 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.193 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.120 | 65.120 | 2.220 |
| High resolution limit [Å] | 2.150 | 8.870 | 2.150 |
| Rmerge | 0.095 | 0.042 | 0.492 |
| Rmeas | 0.105 | 0.046 | 0.542 |
| Rpim | 0.044 | 0.019 | 0.226 |
| Total number of observations | 139858 | 2424 | 12407 |
| Number of reflections | 25450 | 435 | 2191 |
| <I/σ(I)> | 11.5 | 25.5 | 3.4 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 5.5 | 5.6 | 5.7 |
| CC(1/2) | 0.996 | 0.996 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 283 | 0.1 M HEPES pH 7.5, 20% PEG 4000, and 10% 2-porpanol |
