4V2N
Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 85 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 | 57.703, 57.703, 118.029 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.851 - 2.150 |
| R-factor | 0.1816 |
| Rwork | 0.178 |
| R-free | 0.24510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zzx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.055 |
| 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] | 28.850 | 2.200 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.050 | 0.360 |
| Number of reflections | 12470 | |
| <I/σ(I)> | 14.1 | 3.5 |
| Completeness [%] | 99.6 | 99.6 |
| Redundancy | 3.2 | 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 |
