1SZX
Role Of Hydrogen Bonding In The Active Site Of Human Manganese Superoxide Dismutase
Replaces: 1RFWExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-13 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.947, 75.601, 68.437 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.242 |
| Rwork | 0.242 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n0j |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.093 | 0.253 |
| Number of reflections | 27946 | |
| <I/σ(I)> | 45.5 | 8.2 |
| Completeness [%] | 99.0 | 100 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.8 | 298 | 25 mM K2HPO4 and 22% poly(ethylene glycol) (PEG) 2000 monomethyl ether, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K, pH 7.80 |
