6UTL
Yeast Thiol Specific antoxidant 2 with C171S mutation and catalytic cysteine alkylated with iodoacetamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 110 |
| Detector technology | PIXEL |
| Collection date | 2016-04-30 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.4586 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.365, 177.306, 115.262 |
| Unit cell angles | 90.00, 103.28, 90.00 |
Refinement procedure
| Resolution | 47.400 - 2.600 |
| R-factor | 0.1995 |
| Rwork | 0.198 |
| R-free | 0.22940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dvb |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.264 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.400 | 2.760 |
| High resolution limit [Å] | 2.600 | 2.610 |
| Rmerge | 0.122 | 1.751 |
| Rmeas | 0.149 | 2.169 |
| Number of reflections | 62339 | 9992 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 97.9 | |
| Redundancy | 2.8 | |
| CC(1/2) | 0.994 | 0.236 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 10 % w/v PEG 6000, 5 % v/v 2-Methyl-2,4-pentanediol, 0.1 M HEPES pH 7.5 |
