2I4A
Crystal structure of thioredoxin from the acidophile Acetobacter aceti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-15 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.07 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 33.940, 42.240, 63.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.200 - 1.000 |
| R-factor | 0.13465 |
| Rwork | 0.133 |
| R-free | 0.15820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.034 |
| RMSD bond angle | 2.192 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.240 | 1.040 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Number of reflections | 48392 | |
| <I/σ(I)> | 23.9 | 1.8 |
| Completeness [%] | 96.2 | 67.9 |
| Redundancy | 6.13 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | microseeding in 100 mM sodium acetate (pH 4.6), 100 mM ammonium acetate, 24% (w/v) PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
