6QZN
H30 MnSOD-3 Mutant III
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.09 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 81.900, 81.900, 137.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.910 - 1.640 |
R-factor | 0.20002 |
Rwork | 0.199 |
R-free | 0.22759 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3dc5 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.548 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.910 | 1.730 |
High resolution limit [Å] | 1.640 | 1.640 |
Number of reflections | 57915 | 3988 |
<I/σ(I)> | 14.6 | |
Completeness [%] | 99.9 | |
Redundancy | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | bicine ammonium sulfate |