4A7G
Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-06 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.793, 68.352, 49.920 |
Unit cell angles | 90.00, 104.49, 90.00 |
Refinement procedure
Resolution | 48.330 - 1.240 |
R-factor | 0.1407 |
Rwork | 0.139 |
R-free | 0.17526 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.014 |
RMSD bond angle | 1.612 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.280 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmerge | 0.080 | 0.690 |
Number of reflections | 71339 | |
<I/σ(I)> | 14 | 1.7 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.1 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 100MM SODIUM ACETATE PH 5, 150 MM SODIUM CHLORIDE, 2.5 M AMMONIUM SULPHATE |