4BA7
Crystal Structure of Ancestral Thioredoxin Relative to Last Bacteria Common Ancestor (LBCA) from the Precambrian Period
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-04 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 192.701, 192.701, 192.701 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.102 - 2.450 |
| R-factor | 0.1629 |
| Rwork | 0.160 |
| R-free | 0.21100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.474 |
| 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] | 58.100 | 2.580 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.130 | 0.930 |
| Number of reflections | 11808 | |
| <I/σ(I)> | 12.9 | 4.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3 | 293 | COUNTERDIFFUSION METHOD 15% PEG 1500, 0.01 M CITRIC ACID, PH 3.0, 293 K |
