2H74
Crystal Structure of Thioredoxin Mutant D2E in Hexagonal (p61) Space Group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 103.497, 103.497, 41.780 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.820 - 2.400 |
| R-factor | 0.206 |
| Rwork | 0.201 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.029 |
| RMSD bond angle | 1.597 |
| Data reduction software | PROTEUM PLUS (2) |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.820 | 2.450 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 10198 | |
| <I/σ(I)> | 32.58 | 4.36 |
| Completeness [%] | 99.7 | 97.9 |
| Redundancy | 10.9 | 5.89 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 3.5 | 277 | 60% (v/v) MPD, AcNa 15 mM pH3.5, Ac2Cu 1 mM, Counter-diffusion, temperature 277K |
