5O3Y
SOD1 bound to Ebsulfur
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-01-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.050, 67.960, 51.180 |
Unit cell angles | 90.00, 106.73, 90.00 |
Refinement procedure
Resolution | 49.010 - 1.300 |
R-factor | 0.15308 |
Rwork | 0.151 |
R-free | 0.18566 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v0a |
RMSD bond length | 0.010 |
RMSD bond angle | 1.425 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.840 | 1.330 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.064 | 0.566 |
Number of reflections | 60537 | |
<I/σ(I)> | 7.1 | 1.4 |
Completeness [%] | 98.8 | 97.7 |
Redundancy | 3 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.75 | 293 | 100 mM NaAct pH 3.75, 100 mM NaCl, 2.8 M AmSO4 |