4ULX
Crystal structure of ancestral thioredoxin, relative to the last common ancestor of the Cyanobacterial, Deinococcus and Thermus groups, LPBCA-L89K mutant.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-12-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.172, 38.882, 61.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.794 - 2.350 |
| R-factor | 0.2012 |
| Rwork | 0.199 |
| R-free | 0.24370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yj7 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.737 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.790 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.170 | 1.070 |
| Number of reflections | 3761 | |
| <I/σ(I)> | 11.14 | 2.06 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | COUNTERDIFFUSION METHOD: 0.1M NA ACETATE PH 4.0, 20% PEG 400, 15% PEG 4000 & 10% PEG 8000 |
