2H73
Crystal Structure of Thioredoxin Mutant D43E 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 | 102.991, 102.991, 42.445 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.600 - 2.450 |
| R-factor | 0.212 |
| Rwork | 0.209 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.731 |
| 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] | 44.600 | 2.500 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 9672 | |
| <I/σ(I)> | 22.19 | 3.93 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.43 | 8.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 7 | 277 | 60% (v/v) MPD, Ac2Cu 1 mM, Hepes 15 mM pH 7.0, Counter-diffusion, temperature 277K |
