3P2A
Crystal Structure of Thioredoxin 2 from Yersinia pestis
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-22 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.970, 75.582, 81.512 |
| Unit cell angles | 90.00, 90.85, 90.00 |
Refinement procedure
| Resolution | 34.285 - 2.195 |
| R-factor | 0.187 |
| Rwork | 0.184 |
| R-free | 0.23430 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.564 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 33346 | |
| <I/σ(I)> | 7.9 | 2.2 |
| Completeness [%] | 99.4 | 98.8 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M Sodium chloride, 0.1 M HEPES pH 7.5, 25 % w/v PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
