3ECU
Crystal structure of human apo Cu,Zn Superoxide Dismutase (SOD1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-30 |
Detector | OXFORD ONYX CCD |
Wavelength(s) | 1.54056 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 156.169, 33.528, 113.982 |
Unit cell angles | 90.00, 111.64, 90.00 |
Refinement procedure
Resolution | 39.010 - 1.900 |
R-factor | 0.24308 |
Rwork | 0.239 |
R-free | 0.27909 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hl5 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.412 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 106.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.153 | 0.409 |
Number of reflections | 42832 | |
<I/σ(I)> | 4.4 | 4.1 |
Completeness [%] | 97.6 | 92.9 |
Redundancy | 6.7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289.1 | 0.1 M MES 20% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289.1K |