3DYR
Crystal structure of E. coli thioredoxin mutant I76T in its oxidized form
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Detector technology | IMAGE PLATE |
Collection date | 2008-04-02 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 58.790, 39.390, 90.550 |
Unit cell angles | 90.00, 96.63, 90.00 |
Refinement procedure
Resolution | 25.649 - 2.000 |
R-factor | 0.2544 |
Rwork | 0.251 |
R-free | 0.28960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.038 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.059 | 0.048 | 0.249 |
Number of reflections | 13739 | ||
Completeness [%] | 97.0 | 98.2 | 94.7 |
Redundancy | 3.2 | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |