6Z4G
A4V mutant of human SOD1 bound with ebselen in P21 space group
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-29 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9119 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.950, 67.720, 50.650 |
Unit cell angles | 90.00, 106.40, 90.00 |
Refinement procedure
Resolution | 39.510 - 1.450 |
Rwork | 0.156 |
R-free | 0.19330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1uxm |
RMSD bond length | 0.039 |
RMSD bond angle | 2.205 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.510 | 1.470 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.046 | 0.585 |
Rmeas | 0.063 | 0.787 |
Rpim | 0.043 | 0.523 |
Number of reflections | 44399 | 2237 |
<I/σ(I)> | 10.6 | 1.8 |
Completeness [%] | 99.3 | 99.8 |
Redundancy | 3.3 | 3.4 |
CC(1/2) | 0.998 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 100mM NaOAc pH 4.7, 150mM NaCl, 2.7M ammonium sulphate |