2H6Z
Crystal Structure of Thioredoxin Mutant E44D 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 | 2005-12-23 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 102.916, 102.916, 42.559 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.434 - 2.250 |
| R-factor | 0.234 |
| Rwork | 0.228 |
| R-free | 0.29010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.303 |
| 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] | 51.460 | 2.300 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Number of reflections | 12447 | |
| <I/σ(I)> | 29.91 | 3.59 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 21.63 | 12.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 3.5 | 277 | 60% (v/v) MPD, Ac2Cu 1 mM, 15mM Hepes pH 7.0, pH 3.5, Counter-diffusion, temperature 277K |
