2H6X
Crystal Structure of Thioredoxin Wild Type in Hexagonal (p61) Space Group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-28 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 102.727, 102.727, 42.865 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.500 - 2.600 |
| R-factor | 0.222 |
| Rwork | 0.219 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.427 |
| Data reduction software | PROTEUM PLUS (2) |
| Data scaling software | SAINT |
| Phasing software | AMoRE |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.360 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 8147 | |
| <I/σ(I)> | 9.08 | 2.63 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.28 | 7.28 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 3.5 | 277 | 60% (v/v) MPD, Ac2Cu 1mM, AcNa 15mM, HEPES 15 mM pH 6.9, pH 3.5, Counterdiffusion, temperature 277K |
