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 |