2P4K
Contribution to Structure and Catalysis of Tyrosine 34 in Human Manganese Superoxide Dismutase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-01-02 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.559, 77.798, 136.097 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.200 - 1.480 |
R-factor | 0.16 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n0j |
RMSD bond length | 0.009 |
RMSD bond angle | 0.026 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.200 | 1.570 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.060 | 0.299 |
Number of reflections | 115223 | |
<I/σ(I)> | 5 | |
Completeness [%] | 96.9 | 93.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 293 | 25 MM K2HPO4, 22% POLYETHYLENE GLYCOL (PEG) 2000 MONOMETHYL ETHER, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |