2H75
Crystal Structure of Thioredoxin Mutant D13E 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 | 2005-06-18 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 61 |
| Unit cell lengths | 103.081, 103.081, 42.588 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 51.540 - 2.200 |
| R-factor | 0.233 |
| Rwork | 0.227 |
| R-free | 0.29350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.229 |
| 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] | 51.540 | 2.250 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 13343 | |
| <I/σ(I)> | 23.38 | 4.16 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 1.92 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 3.5 | 277 | 60% (v/v) MPD, Hepes 15 mM pH 7.0, Ac2Cu 1mM, pH 3.5, Counter-diffusion, temperature 277K |
