4NCQ
Crystal structure of NiSOD H1A mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-15 |
Detector | ADSC |
Wavelength(s) | 0.91840 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 59.950, 110.742, 111.861 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.930 - 2.080 |
R-factor | 0.1871 |
Rwork | 0.185 |
R-free | 0.23750 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | PDB 3GX4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.943 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.070 | 4.460 | 2.070 |
Rmerge | 0.068 | 0.034 | 0.648 |
Number of reflections | 20104 | ||
<I/σ(I)> | 8.7 | ||
Completeness [%] | 89.4 | 99.3 | 90.8 |
Redundancy | 4.4 | 4.7 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 25% PEG 550 MME, 0.05 M CaCl2, 0.1 M Bis-Tris, pH 6.5, vapor diffusion, hanging drop, temperature 293K |