1UXL
I113T mutant of human SOD1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX14.2 |
Synchrotron site | SRS |
Beamline | PX14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-11-15 |
Detector | ADSC CCD |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 166.042, 203.546, 144.021 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.600 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.18800 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hl5 |
RMSD bond length | 0.016 * |
RMSD bond angle | 1.600 * |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.051 | 0.420 * |
Number of reflections | 317774 | |
<I/σ(I)> | 15 | 3 |
Completeness [%] | 99.6 | 99.7 |
Redundancy | 10 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7.5 | 100 MM NACL, 2.4M AMMONIUM SULPHATE PH 7.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG2000 | 15 (%) | |
3 | 1 | reservoir | calcium acetate | 0.2 (M) | |
4 | 1 | reservoir | ammonium sulfate | 2.4 (M) | |
5 | 1 | reservoir | 100 (mM) | ||
6 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |