2H70
Crystal Structure of Thioredoxin Mutant D9E 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 | 2006-04-12 |
| Detector | BRUKER SMART 6000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 103.026, 103.026, 40.279 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.280 - 2.700 |
| R-factor | 0.21 |
| Rwork | 0.206 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2TRX-A |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.619 |
| 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] | 40.280 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Number of reflections | 6875 | |
| <I/σ(I)> | 22.53 | 3.19 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 11.81 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.5 | 277 | 60% (v/v) MPD, Ac2Cu 1 mM, Hepes 15 mM pH 7.0, Counter-diffusion, temperature 277K, pH 3.50 |
