3GNJ
The crystal structure of a thioredoxin-related protein from Desulfitobacterium hafniense DCB
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-08 |
| Detector | SBC-3 |
| Wavelength(s) | 0.97921, 0.97942 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.167, 66.341, 70.163 |
| Unit cell angles | 90.00, 105.67, 90.00 |
Refinement procedure
| Resolution | 25.920 - 1.990 |
| R-factor | 0.19949 |
| Rwork | 0.196 |
| R-free | 0.26605 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.685 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.000 | 2.030 |
| High resolution limit [Å] | 1.990 | 2.000 |
| Rmerge | 0.104 | 0.512 |
| Number of reflections | 26104 | |
| <I/σ(I)> | 22.6 | 2.3 |
| Completeness [%] | 99.4 | 97.8 |
| Redundancy | 4.4 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | 30% PEG400 0.1M MES, 0.1M MgCl2, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 287K |
