7UXB
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 | 65.200, 75.230, 93.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.540 - 2.000 |
| R-factor | 0.1739 |
| Rwork | 0.171 |
| R-free | 0.22830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6up1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.415 |
| 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] | 65.200 | 65.200 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.067 | 0.032 | 0.231 |
| Rmeas | 0.074 | 0.036 | 0.258 |
| Rpim | 0.031 | 0.015 | 0.113 |
| Total number of observations | 177531 | 2391 | 11275 |
| Number of reflections | 31672 | 428 | 2286 |
| <I/σ(I)> | 14.8 | 26.1 | 5.1 |
| Completeness [%] | 99.9 | 99.8 | 99.4 |
| Redundancy | 5.6 | 5.6 | 4.9 |
| CC(1/2) | 0.997 | 0.998 | 0.959 |
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-propanol |
