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 |