5WMJ
KVWGSI segment from Superoxide Dismutase 1,residues 30-35
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2013-06-06 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 9.518, 20.282, 44.249 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.120 - 1.400 |
R-factor | 0.1706 |
Rwork | 0.171 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2 ANTI-PARALLEL BETA STRANDS |
RMSD bond length | 0.020 |
RMSD bond angle | 2.002 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK (1.98.7) |
Phasing software | PHASER (2.52) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.450 |
High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
Rmerge | 0.166 | 0.079 | 0.550 |
Total number of observations | 11623 | ||
Number of reflections | 1738 | 227 | 132 |
<I/σ(I)> | 4.6 | ||
Completeness [%] | 89.6 | 97 | 75 |
Redundancy | 6.7 | 7.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Reservoir solution contained 4M Sodium Formate |