1LUV
CATALYTIC AND STRUCTURAL EFFECTS OF AMINO-ACID SUBSTITUTION AT HIS 30 IN HUMAN MANGANESE SUPEROXIDE DISMUTASE: INSERTION OF VAL CGAMMA INTO THE SUBSTRATE ACCESS CHANNEL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 272 |
Detector technology | IMAGE PLATE |
Collection date | 2000-07-20 |
Detector | MACSCIENCE |
Wavelength(s) | 1.0 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 79.901, 79.901, 241.125 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 * - 1.800* |
R-factor | 0.254 |
Rwork | 0.254 |
R-free | 0.28800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | hMnSOD Y34F |
RMSD bond length | 0.010 |
RMSD bond angle | 21.300 * |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.880 |
High resolution limit [Å] | 1.800 * | 1.850 |
Rmerge | 0.078 * | 0.460 * |
Number of reflections | 39262 | |
<I/σ(I)> | 13.4 | 3.29 |
Completeness [%] | 98.0 | 99 |
Redundancy | 4.5 * | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 8 | 294 | 50 mM imidazole/malate, 2.5M ammonium sulfate, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | ammonium sulfate | 2-3 (M) | pH7-8 |
2 | 1 | 1 | imidazole malate | 100 (mM) |