5G30
Crystallographic structure of mutant D60S of thioredoxin from Litopenaeus vannamei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 58.491, 82.712, 82.206 |
| Unit cell angles | 90.00, 102.58, 90.00 |
Refinement procedure
| Resolution | 19.465 - 1.650 |
| R-factor | 0.1671 |
| Rwork | 0.165 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zzx |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.855 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.460 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.040 | 0.250 |
| Number of reflections | 45126 | |
| <I/σ(I)> | 15 | 3.3 |
| Completeness [%] | 98.4 | 97.2 |
| Redundancy | 2.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 10 % (W/V) POLYETHYLENE GLYCOL 8,000. 100 MM MES PH 6.0. 200 MM ZINC ACETATE |
