4V2L
Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 3.4 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 | 57.182, 57.182, 117.619 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.782 - 1.650 |
| R-factor | 0.1872 |
| Rwork | 0.185 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zzx |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.991 |
| 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] | 28.590 | 1.720 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.040 | 0.430 |
| Number of reflections | 26586 | |
| <I/σ(I)> | 15.9 | 2.4 |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 2.0 M AMMONIUM SULPHATE, 0.1 M SODIUM ACETATE, PH 4.6 |
