3M9J
Crystal structure of human thioredoxin C69/73S double mutant, reduced form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-04-18 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 37.233, 46.207, 52.330 |
Unit cell angles | 90.00, 93.25, 90.00 |
Refinement procedure
Resolution | 17.830 - 1.100 |
R-factor | 0.145 |
Rwork | 0.144 |
R-free | 0.17200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ert |
RMSD bond length | 0.017 |
RMSD bond angle | 1.698 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.047 | 0.398 |
Number of reflections | 69644 | |
<I/σ(I)> | 40 | 3.2 |
Completeness [%] | 96.9 | 91.3 |
Redundancy | 4.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.6 | 298 | 30% PEG 4000, 200 mM ammonium acetate, 100 mM sodium citrate, 5 mM DTT, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |