2FCH
Crystal Structure of Thioredoxin Mutant G74S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-20 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.650, 88.800, 118.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.650 - 2.600 |
| Rwork | 0.203 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2TRX_A |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.237 |
| Data reduction software | PROTEUM PLUS (2) |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.650 | 2.650 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 26251 | |
| <I/σ(I)> | 21.28 | 3.27 |
| Completeness [%] | 99.2 | 93.2 |
| Redundancy | 4.48 | 1.96 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 5.4 | 277 | 60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K |
