2Q6U
SeMet-substituted form of NikD
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2003-12-02 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.9791, 0.9794, 0.9500, 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.520, 96.120, 78.050 |
Unit cell angles | 90.00, 118.49, 90.00 |
Refinement procedure
Resolution | 20.110 - 1.750 |
Rwork | 0.191 |
R-free | 0.22800 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.590 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.810 |
High resolution limit [Å] | 1.750 | 3.770 | 1.750 |
Rmerge | 0.070 | 0.054 | 0.425 |
Number of reflections | 50708 | ||
<I/σ(I)> | 12.6 | ||
Completeness [%] | 99.3 | 97.7 | 95.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 30% PEG-1500, 50 mM HEPES, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 30% PEG-1500, 50 mM HEPES, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
1 | VAPOR DIFFUSION, SITTING DROP | 6.6 | 293 | 30% PEG-1500, 50 mM HEPES, pH 6.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |