1EM1
X-RAY CRYSTAL STRUCTURE FOR HUMAN MANGANESE SUPEROXIDE DISMUTASE, Q143A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1999-01-15 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.643, 79.643, 241.642 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.790 - 2.130 |
R-factor | 0.232 |
Rwork | 0.232 |
R-free | 0.26400 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.200 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (0.9) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.120 |
Rmerge | 0.077 | 0.332 |
Total number of observations | 89153 * | |
Number of reflections | 26135 * | |
<I/σ(I)> | 8.7 | 3.33 |
Completeness [%] | 97.9 | 99.6 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.5 * | 293 | ammonium sulfate, imidazole/malate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | ammonium sulfate | 2.0-2.8 (M) | |
2 | 1 | drop | imidazole malate | 100 (mM) | |
3 | 1 | reservoir | ethylene glycol | 20 (%) |