2FD3
Crystal Structure of Thioredoxin Mutant P34H
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-28 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.138, 90.041, 36.326 |
| Unit cell angles | 90.00, 112.99, 90.00 |
Refinement procedure
| Resolution | 16.440 - 2.450 |
| R-factor | 0.18527 |
| Rwork | 0.180 |
| R-free | 0.30495 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2TRX_A |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.200 |
| Data reduction software | PROTEUM PLUS (2) |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.674 | 2.500 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 4223 | |
| <I/σ(I)> | 10.88 | 3.06 |
| Completeness [%] | 61.9 | 47.8 |
| Redundancy | 1.19 | 0.61 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 8 | 277 | 60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 8.0, Counter-diffusion, temperature 277K |
