3OUQ
Structure of N-terminal hexaheme fragment of GSU1996
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-03-11 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.73774 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 63.000, 84.200, 100.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.670 - 2.600 |
R-factor | 0.244 |
Rwork | 0.244 |
R-free | 0.27500 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 3.800 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.089 | 0.421 |
Number of reflections | 15711 | |
<I/σ(I)> | 15.7 | 2.1 |
Completeness [%] | 98.1 | 85.2 |
Redundancy | 3.6 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 2.5 M ammonium sulfate, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |