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 |