4V2M
Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 34 MGy, focused in disulfide bonds.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-23 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 32 1 2 |
| Unit cell lengths | 57.216, 57.216, 117.952 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.802 - 1.841 |
| R-factor | 0.1861 |
| Rwork | 0.184 |
| R-free | 0.21720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zzx |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.885 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.800 | 2.000 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.050 | 0.420 |
| Number of reflections | 18958 | |
| <I/σ(I)> | 13 | 3.2 |
| Completeness [%] | 97.3 | 90.7 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 2.0 M AMMONIUM SULPHATE, 0.1 M SODIUM ACETATE, PH 4.6 |
