7SX1
human triosephosphate isomerase mutant v154m
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 | 2019-07-05 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.4586 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.460, 75.400, 91.560 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.780 - 2.230 |
| R-factor | 0.1706 |
| Rwork | 0.168 |
| R-free | 0.22490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6up1 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.363 |
| 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] | 45.780 | 45.780 | 2.300 |
| High resolution limit [Å] | 2.230 | 8.920 | 2.230 |
| Rmerge | 0.098 | 0.042 | 0.323 |
| Rmeas | 0.116 | 0.049 | 0.402 |
| Rpim | 0.062 | 0.025 | 0.236 |
| Total number of observations | 75001 | 1439 | 5351 |
| Number of reflections | 22656 | 422 | 2025 |
| <I/σ(I)> | 8.6 | 19.5 | 2.8 |
| Completeness [%] | 99.6 | 99.1 | 98.9 |
| Redundancy | 3.3 | 3.4 | 2.6 |
| CC(1/2) | 0.993 | 0.995 | 0.856 |
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 |
